property_id
string | property_hash
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timestamp[us] | dataset_id
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int32 | software
string | method
string | energy
float64 | atomic_forces
list | cauchy_stress
list | cauchy_stress_volume_normalized
bool | electronic_band_gap
float64 | electronic_band_gap_type
string | formation_energy
float64 | adsorption_energy
float64 | atomization_energy
float64 | max_force_norm
float64 | mean_force_norm
float64 | energy_above_hull
float64 | configuration_id
string | configuration_hash
string | structure_hash
string | cell
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list | pbc
list | chemical_formula_hill
string | chemical_formula_reduced
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string | elements
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list | nsites
int32 | nelements
int32 | nperiodic_dimensions
int32 | dimension_types
list | names
list | labels
list | property_metadata_path
string | configuration_metadata_path
string | hash
string | configuration_metadata
string | property_metadata
string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_8023198317832581364710852
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| 2025-04-16T15:45:08
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.925214
|
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0.0030668279240939978
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CO_6551834240330764085217859
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[
true,
true,
true
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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
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"V"
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[
0.5,
0.25,
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[
27,
27,
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27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_258"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1430930420360727827386705
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| 2025-04-16T21:37:22
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.393793
|
[
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[
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],
[
0,
-4.36905638811828e-7,
-0.005867954804699145
]
] | true
| null | null | null | null | null | 0.552698
| 0.253812
| null |
CO_2247659335810709640080458
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2247659335810709640080458989840917197869036537533828780041103904513069477643903095948354225360199562308484719182077424390937200710593641973178134957474434
|
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|
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0
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[
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[
0,
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]
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[
[
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[
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[
0,
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2.05369
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[
0,
4.5462,
4.39073
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] |
[
true,
true,
true
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Co4Nb3V
|
Co4Nb3V
|
A4B3C
|
[
"Co",
"Nb",
"V"
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[
0.5,
0.375,
0.125
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[
27,
27,
27,
27,
41,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_198"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1431494835710694343457676
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| 2025-04-16T21:30:02
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.465806
|
[
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[
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[
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[
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0.0265211709173381
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[
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0.0265211709173381,
-0.03521815214843509
]
] | true
| null | null | null | null | null | 0.00005
| 0.000027
| null |
CO_1337924146748091803419417
|
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[
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[
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[
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[
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8.67291
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] |
[
true,
true,
true
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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_326"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8019918526624078070763060
|
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| 2025-04-16T15:23:08
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -33.289672
|
[
[
0,
0,
1.369424
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[
0,
0,
-1.3694
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[
0,
0,
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[
0,
0,
0.000004
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[
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0,
0
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[
0,
-0.0031993351628364993,
0
],
[
0,
0,
0.02233948463317884
]
] | true
| null | null | null | null | null | 1.369424
| 0.684714
| null |
CO_4854960220796135989230400
|
4854960220796135989230400000340288850397775813281064385786713638416536572280294045171168839139419194142141760056344811812906114417259859316537376356135966
|
2004530123407192995022498704266987860915667177333958088955927782845670435447716250539629242732397882148818615311105125273527372096860770547679448972331184
|
[
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0
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[
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0
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[
0,
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[
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[
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[
0,
0,
0
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[
0,
0,
3.74444
]
] |
[
true,
true,
true
] |
Co2NbV
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
41,
23
] | 4
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_281"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8081864197284387436323692
|
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| 2025-04-16T20:52:01
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -34.340812
|
[
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0.355012,
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[
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0.35501,
0.446447
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[
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0.024193,
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[
0.024191,
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0.050293
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] |
[
[
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[
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0.0026781067357339885
],
[
-0.0026781067357339885,
0.0026781067357339885,
0.0164348297548195
]
] | true
| null | null | null | null | null | 0.671851
| 0.366338
| null |
CO_8799883404987628904279192
|
8799883404987628904279192279884445541508700054082808538930925126716834232209674622452028539234224889832669690225895473983141461437605996838275850102274581
|
1691045815804583681461832814915479092110520311985011657785497354102554542500743548493819971105513940139855226584284034628776403766689178195896516035859945
|
[
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0
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[
-1.85221,
1.85221,
5.28385
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[
1.54261,
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3.98202
]
] |
[
[
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0.44785
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[
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6.17609
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[
0.10884,
1.77336,
7.44524
],
[
-0.40345,
0.40345,
4.46255
]
] |
[
true,
true,
true
] |
Co2Nb2
|
CoNb
|
AB
|
[
"Co",
"Nb"
] |
[
0.5,
0.5
] |
[
27,
27,
41,
41
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_276"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1509275739540258875146907
|
150927573954025887514690780031645673020237022672604850509768207832564561532005491584932515614585271730786249439753636692450772304088037936419629903368819
| 2025-04-17T18:26:41
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.129321
|
[
[
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[
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[
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0.928062,
0.000049
]
] |
[
[
0.009626591600306043,
0.0008638872781135018,
0
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[
0.0008638872781135018,
0.009660170919403296,
0
],
[
0,
0,
0.007725365505470744
]
] | true
| null | null | null | null | null | 2.333773
| 0.972585
| null |
CO_2786009683174750099278886
|
2786009683174750099278886095466465782748326787753984591904798424052476677182392154773809296883838343345553776391941266919357240015358375975233701615725285
|
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|
[
[
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3.62919
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[
1.81459,
5.44378,
0
],
[
-3.62919,
3.62919,
0
]
] |
[
[
0,
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0
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[
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1.81459
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[
0,
3.62919,
0
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[
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3.62919,
1.81459
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[
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[
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0
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[
-1.81459,
5.44378,
0
],
[
-1.81459,
7.25837,
1.81459
]
] |
[
true,
true,
true
] |
Co4V4
|
CoV
|
AB
|
[
"Co",
"V"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
27,
23,
23,
23,
23
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_109"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1515992600008718506734523
|
1515992600008718506734523014908934368031577232544998608172517427484544489201629910348622394122517470713088351725137728259394055356590612641387992572713396
| 2025-04-16T18:52:57
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -45.738749
|
[
[
0.064575,
0.033195,
0.157767
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[
0.005685,
0.005108,
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[
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[
0.362146,
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0.097126
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[
-0.21374,
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[
-0.184875,
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0.306489
]
] |
[
[
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[
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-0.002830337143314281
],
[
-0.003236097651587952,
-0.002830337143314281,
-0.0015915848271002308
]
] | true
| null | null | null | null | null | 0.409275
| 0.274452
| null |
CO_1036381834669965720949916
|
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|
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|
[
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[
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[
1.2606,
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12.3534
]
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[
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[
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[
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[
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[
0.0426,
0.04133,
0.03222
],
[
1.29665,
0.74955,
8.16301
]
] |
[
true,
true,
true
] |
Co4V2
|
Co2V
|
A2B
|
[
"Co",
"V"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
27,
27,
27,
27,
23,
23
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_209"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1496779841536288173633959
|
1496779841536288173633959987824775503489836017570437781512961300097687889611312774871376134202211936843061540331899827627737080800866928527250788115203952
| 2025-04-16T18:14:37
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.047129
|
[
[
0.009683,
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[
0.009491,
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0.122542
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[
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[
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[
0.039994,
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0.141465
]
] |
[
[
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[
0.002352299959362882,
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0.01408833439894369
]
] | true
| null | null | null | null | null | 0.635278
| 0.315547
| null |
CO_2977374938606398064002638
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|
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|
[
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[
1.30158,
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[
-0.006879,
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]
] |
[
[
1.36877,
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2.25237
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[
1.33842,
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[
2.70329,
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[
1.30376,
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[
2.76702,
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2.42296
],
[
1.30696,
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6.12262
]
] |
[
true,
true,
true
] |
Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.125,
0.375
] |
[
27,
27,
27,
27,
41,
23,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_235"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1503040723338690794068249
|
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| 2025-04-16T20:15:40
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -68.209134
|
[
[
-0.228641,
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[
0.974931,
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0.040816
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[
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[
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[
-0.085052,
0.453689,
0.701992
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[
-0.188579,
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]
] |
[
[
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[
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0.005247111891947537
],
[
-0.0090878245325598,
0.005247111891947537,
-0.012424660141439508
]
] | true
| null | null | null | null | null | 1.031507
| 0.602353
| null |
CO_9705428871597269785512115
|
9705428871597269785512115056721793925704284205415000200687829612364367991862295027370789889687478467439645719419339504508333218408974001896615238849928903
|
3011016620786115443656586511086562458548963699380107261215401545398900830568849809167463648503751558950034351485368565589036930430139912267471985204149899
|
[
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[
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5.02682
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[
2.29414,
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4.08364
]
] |
[
[
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4.65474
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[
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3.97563
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[
1.24576,
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5.85619
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[
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[
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[
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7.11244
],
[
-0.24009,
3.80924,
2.212
],
[
0.20104,
4.74574,
-0.32355
]
] |
[
true,
true,
true
] |
Co4Nb3V
|
Co4Nb3V
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.375,
0.125
] |
[
27,
27,
27,
27,
41,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_380"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1522848384357082820124392
|
1522848384357082820124392014167999198728450855768022952789739438564277521926228071258006961316209590960958359065989629042160873200176557208448183140152211
| 2025-04-16T15:43:10
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.515146
|
[
[
0.000013,
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[
0.285764,
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0.495719
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[
0.000002,
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[
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[
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[
0.089395,
0.001039,
0.082414
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[
-0.25266,
0.067966,
-0.303543
],
[
0.252674,
-0.068023,
0.303516
]
] |
[
[
-0.014272271672883469,
0.007845514556143997,
0.0005285309927797943
],
[
0.007845514556143997,
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-0.006630542389699561
],
[
0.0005285309927797943,
-0.006630542389699561,
-0.01390333606845251
]
] | true
| null | null | null | null | null | 0.649876
| 0.29304
| null |
CO_4455935445706492028913556
|
4455935445706492028913556610269835542761846605523970624415507253548042796528854579064593163096072229954619652891096794511149031417221177837118875268568933
|
4481419092968109288748526310802517062298360906824255307981636271534003676333134859031650605622413325190881839592449014874509927364405343979873071834054639
|
[
[
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0.046802
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[
-3.8395,
1.67909,
2.16221
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[
4.06655,
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8.1466
]
] |
[
[
0.29187,
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2.13453
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[
2.14087,
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4.15279
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[
2.32514,
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6.20784
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[
0.23835,
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8.21608
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[
2.42563,
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10.2561
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[
2.22466,
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2.15954
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[
0.42341,
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4.48143
],
[
1.95581,
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7.88743
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_112"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8126400577174932118425751
|
8126400577174932118425751569178710435922501166107147551155148427705948250748615193113332543023725620164042887581012727272950987344529654121407226997747382
| 2025-04-16T17:42:29
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.676202
|
[
[
0,
-0.034905,
-0.00263
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[
0,
1.045712,
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[
0,
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0.064151
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[
0,
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[
0,
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[
0,
0.999654,
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[
0,
-0.094338,
-0.273408
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[
0,
-0.096582,
0.281653
]
] |
[
[
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0,
0
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[
0,
-0.032521945036236045,
0.00001067298060526037
],
[
0,
0.00001067298060526037,
-0.010063746899482907
]
] | true
| null | null | null | null | null | 1.745785
| 0.569766
| null |
CO_6404041795275040250688532
|
6404041795275040250688532313421619093622639946244552697019866129264278457156372041176635688604482286792682906550565859338937115633247556468219334718130116
|
10925699402342094461853408045754530693062025867342339778503280842564212689067983819493984662850240976495542822089831675921833925138387675281882928558670496
|
[
[
2.7382,
0,
0
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[
0,
4.19116,
4.2396
],
[
0,
-4.19106,
4.23952
]
] |
[
[
0,
0.15635,
4.23968
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[
1.3691,
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4.23954
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[
0,
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6.30607
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[
0,
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2.17287
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[
0,
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4.23977
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[
1.3691,
2.21943,
4.23986
],
[
1.3691,
0.40857,
2.28137
],
[
1.3691,
0.40882,
6.19729
]
] |
[
true,
true,
true
] |
Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.125,
0.375
] |
[
27,
27,
27,
27,
41,
23,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_203"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8148445650184965915802742
|
8148445650184965915802742272450420279193166742910907660877479561969095480221307804173927918657500668541510828998674589377983940348204192211766866796086220
| 2025-04-16T16:08:27
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -33.58167
|
[
[
0.012795,
-0.000026,
0.012827
],
[
-0.012828,
-0.000026,
-0.012794
],
[
0.000091,
0.000043,
-0.000092
],
[
-0.000058,
0.00001,
0.000059
]
] |
[
[
-0.007243521000952556,
0.001071854362187932,
-0.002019377862588269
],
[
0.001071854362187932,
0.003640859518401481,
-0.001071854362187932
],
[
-0.002019377862588269,
-0.001071854362187932,
-0.007243521000952556
]
] | true
| null | null | null | null | null | 0.018118
| 0.009114
| null |
CO_1798293740804140800041269
|
179829374080414080004126945709021057356058903335517659395261970227464107314573047890779276117108595888373866048502368310136811345097744996958902970739209
|
5079725937234042895508984864919073302760512885778056134516454910768182314717176207207764307838913851278298047810348660794225186204604020881869752051619206
|
[
[
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0.034765,
3.74813
],
[
-1.83061,
3.66122,
1.83061
],
[
-3.74813,
0.034765,
0.017382
]
] |
[
[
-3.73075,
1.86538,
1.86538
],
[
-1.86538,
1.86538,
3.73075
],
[
-1.83062,
3.66122,
1.83062
],
[
-1.88276,
0.03477,
1.88276
]
] |
[
true,
true,
true
] |
Co2NbV
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
41,
23
] | 4
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_137"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1553503176629026377385622
|
1553503176629026377385622295375846778931742765269499387649618040577191210614573324276057448311137486215538332728210156803579158754344261606762663041235315
| 2025-04-16T16:45:28
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -51.458483
|
[
[
-0.709824,
-0.559134,
-0.000005
],
[
0.679784,
-0.55065,
-0.000005
],
[
0.007832,
0.486457,
0.000005
],
[
-0.002835,
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],
[
-0.292003,
0.351145,
0.000006
],
[
0.317046,
0.343742,
0.000006
]
] |
[
[
0.0005492528030777267,
-0.0014866026436028744,
0
],
[
-0.0014866026436028744,
-0.035813779364318135,
0
],
[
0,
0,
0.014189758922239292
]
] | true
| null | null | null | null | null | 0.903593
| 0.54348
| null |
CO_5398115777862568264996430
|
5398115777862568264996430586358386545427745304885562298615696477711258365986993103832019706952918238400319998230795459115510639055598199779781175628995886
|
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|
[
[
0,
0,
4.43396
],
[
4.031,
2.32775,
0
],
[
0.032653,
4.74786,
0
]
] |
[
[
0.11963,
4.73635,
0
],
[
2.6215,
4.70761,
0
],
[
1.37629,
5.48937,
2.21698
],
[
1.35272,
2.06585,
0
],
[
2.81205,
3.30663,
2.21698
],
[
3.94141,
5.66889,
2.21698
]
] |
[
true,
true,
true
] |
Co3Nb3
|
CoNb
|
AB
|
[
"Co",
"Nb"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
41,
41,
41
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_337"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8202599529598882989427404
|
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| 2025-04-16T18:47:30
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.464382
|
[
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[
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[
0,
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| null | null | null | null | null | 0.78659
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CO_1238938740055750572778354
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[
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[
true,
true,
true
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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
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[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_270"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1614418755377629911992585
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| 2025-04-16T15:43:51
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.025468
|
[
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0.237349,
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[
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[
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[
0.005375000413936885,
0.0000302713192605338,
-0.022672157069588417
]
] | true
| null | null | null | null | null | 0.429023
| 0.23821
| null |
CO_6066054085870992167574580
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6066054085870992167574580735347705682237963779546457205279570808609374164148504948856954183287404141198050821548381905125817562035645500795296846516113800
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[
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[
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[
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[
true,
true,
true
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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_119"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1612150241161859358018372
|
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| 2025-04-16T17:21:07
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.856471
|
[
[
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[
0.000012,
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[
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[
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0.311304,
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[
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0.102889,
0.000084
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[
[
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3.120754562941629e-7
],
[
0,
3.120754562941629e-7,
-0.005300664040247616
]
] | true
| null | null | null | null | null | 2.394883
| 0.702269
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CO_7067368499074191483456689
|
7067368499074191483456689677425381332774304928788705524918810887183653889002666707689858815499014922037121547252583391821738011412513859870203762644004419
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[
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[
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[
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[
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[
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[
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0
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[
1.65368,
0.61242,
1.92906
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] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_331"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1623806768972524362304057
|
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| 2025-04-16T18:02:06
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.491476
|
[
[
0.01655,
0.284928,
-0.356772
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[
0.007078,
0.138694,
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[
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[
0.025591,
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[
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[
-0.023706,
0.117272,
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[
[
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[
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0.002142585252733205
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[
0.0007502293969311677,
0.002142585252733205,
-0.004069776025532179
]
] | true
| null | null | null | null | null | 0.523649
| 0.271383
| null |
CO_9233080843623752902628869
|
923308084362375290262886975195465217833353219123091298113316277640287127803590493373068288202917082199399670674010101115858489597548262700208785310066035
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[
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[
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[
0.034002,
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[
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2.43707
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[
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[
1.39805,
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[
1.50852,
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0.23225
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[
2.9524,
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2.51123
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] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_101"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8240214334782479236505719
|
8240214334782479236505719643220571726155092540884861714960186334992178139941613317951616766092874691355701652172533474187465066644393095014714320631919053
| 2025-04-16T16:07:30
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.385062
|
[
[
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0.000107,
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[
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[
0.315553,
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[
0.000155,
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0.000099
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[
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[
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-0.01528370822673285
],
[
0.017847782590736952,
-0.01528370822673285,
-0.03877312850126442
]
] | true
| null | null | null | null | null | 2.091186
| 0.634452
| null |
CO_4194172410911401217476085
|
4194172410911401217476085530805030553105191265018492970144232303095265178251438110930029196826783183339901927769875278777010514291361233215008885170117755
|
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|
[
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[
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0,
4.85726
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[
1.88619,
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1.88619
]
] |
[
[
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4.31482
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[
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1.86737
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[
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[
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6.445
],
[
3.73472,
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3.73473
]
] |
[
true,
true,
true
] |
Co5Nb2V
|
Co5Nb2V
|
A5B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.625,
0.25,
0.125
] |
[
27,
27,
27,
27,
27,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_381"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8278272536896257795808792
|
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| 2025-04-16T16:56:16
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.830269
|
[
[
0,
0.000056,
0
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[
0,
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0
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[
0,
0.000026,
0
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[
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[
0,
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[
0,
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0
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[
0,
0.000035,
0
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[
0,
0.000066,
0
]
] |
[
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0.01916948456323399,
0,
0
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[
0,
-0.0071019635739775246,
0
],
[
0,
0,
0.019169671808507767
]
] | true
| null | null | null | null | null | 0.000074
| 0.000046
| null |
CO_2830667866748817592558963
|
2830667866748817592558963983701315696273670638126063573041653592078943613954211336883061016569160473685897539626419780529479867968256649142816939596750238
|
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|
[
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[
0,
7.5003,
0
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[
0,
0,
3.73464
]
] |
[
[
0,
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1.86732
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[
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1.86732
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[
1.86732,
1.87507,
0
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[
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0
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[
0,
1.87507,
1.86732
],
[
1.86732,
5.62522,
0
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_185"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8271266962803498046965364
|
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| 2025-04-16T18:40:27
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.46923
|
[
[
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0.049095,
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[
0.035584,
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0.083696
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[
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0.04493
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[
0.086576,
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0.041258
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[
0.056436,
0.101538,
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[
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0.038491
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[
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[
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| null | null | null | null | null | 0.208461
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CO_1333265152475606067475196
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[
true,
true,
true
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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
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[
0.5,
0.25,
0.25
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[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_176"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8305904651323579781710362
|
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| 2025-04-16T20:04:36
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -49.804643
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CO_6247760284798673572306974
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[
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1.91382
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[
true,
true,
true
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Co3NbV2
|
Co3NbV2
|
A3B2C
|
[
"Co",
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"V"
] |
[
0.5,
0.16666666666666666,
0.3333333333333333
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[
27,
27,
27,
41,
23,
23
] | 6
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_169"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1714285273642082147498355
|
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| 2025-04-16T19:00:56
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.462832
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[
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[
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[
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0.0025006606312851275,
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| null | null | null | null | null | 0.59991
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CO_9116762715328450187490929
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9116762715328450187490929414518483904698511216049006049141791862564158475995956009710793625811149181647835982952205211301445781679117471177752030586246663
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[
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[
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[
0.30897,
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[
true,
true,
true
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Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
"Co",
"Nb",
"V"
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[
0.5,
0.125,
0.375
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[
27,
27,
27,
27,
41,
23,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
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[
"CoNbV_CMS2019_30"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1680800003430921480295200
|
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| 2025-04-16T16:54:17
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.108582
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[
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0.190704,
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[
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[
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[
[
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0.033543118344321804
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[
0.004714898408783472,
0.033543118344321804,
-0.024426520454691684
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| null | null | null | null | null | 0.382852
| 0.259059
| null |
CO_2563697836219247771458857
|
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|
[
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[
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2.95433
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[
[
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[
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[
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3.11015
],
[
-2.03566,
6.18171,
2.99729
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] |
[
true,
true,
true
] |
Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.125,
0.375
] |
[
27,
27,
27,
27,
41,
23,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_6"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8290904714254122800317223
|
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| 2025-04-16T16:07:44
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.416666
|
[
[
-0.000039,
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[
-0.209357,
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0.209426
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[
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[
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[
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[
-0.000068,
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[
0.369737,
0.000046,
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] |
[
[
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0.009174519094318318
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[
-0.010452405672751656,
0.009174519094318318,
-0.006912159281459414
]
] | true
| null | null | null | null | null | 0.522828
| 0.204763
| null |
CO_5196317222347034271541554
|
5196317222347034271541554808314405128199392899617462960669795815712250637192582383991509883349164352638281017559059486910614978507044726577823889373975801
|
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|
[
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[
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0,
4.08064
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[
1.77959,
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1.77959
]
] |
[
[
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[
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[
1.71789,
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[
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[
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[
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[
1.68356,
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3.72388
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[
1.53446,
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5.72123
]
] |
[
true,
true,
true
] |
Co5Nb3
|
Co5Nb3
|
A5B3
|
[
"Co",
"Nb"
] |
[
0.625,
0.375
] |
[
27,
27,
27,
27,
27,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_20"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8336257386377275235336593
|
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| 2025-04-16T19:00:55
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.819298
|
[
[
-0.494239,
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[
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0.312961,
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0.269591,
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[
0.398673,
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0.023447
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[
0.398647,
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0.023468
]
] |
[
[
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0.008224249329902593
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[
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],
[
0.008224249329902593,
-0.013283803872617336,
-0.02751950030202313
]
] | true
| null | null | null | null | null | 0.552752
| 0.470417
| null |
CO_7516137465132569298641565
|
7516137465132569298641565841153280598193012058140027478765094862113573482656713989694932224823663746857538002503526249467927320435286080671321330145117508
|
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|
[
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[
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[
3.82827,
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]
] |
[
[
1.42664,
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[
0.39194,
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3.95298
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[
3.34078,
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5.55604
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[
2.30608,
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[
1.76385,
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[
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[
-0.09697,
2.06581,
2.24089
],
[
1.81717,
0.1525,
6.07783
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_187"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1768124974323559846814573
|
1768124974323559846814573073888534111851313326455789897711855848882792876328708463373293616832182367623940076389470679395655089972947899567281492870834485
| 2025-04-16T18:21:24
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -44.865918
|
[
[
0,
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-0.74505
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[
0,
0.212157,
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[
0,
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0.000001
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[
0,
0.098552,
0.744904
],
[
0,
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0.405663
],
[
0,
0.000066,
0.000064
]
] |
[
[
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0,
0
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[
0,
-0.005757667338444788,
0.0001336931254764194
],
[
0,
0.0001336931254764194,
-0.00310465146939685
]
] | true
| null | null | null | null | null | 0.751548
| 0.403115
| null |
CO_4758771657047091835748412
|
4758771657047091835748412215760568355811396767668513582975764907571038629695166701204860285751435260781089364450768008054526426271333684395191161749764921
|
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|
[
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0
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[
0,
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] |
[
true,
true,
true
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Co5Nb
|
Co5Nb
|
A5B
|
[
"Co",
"Nb"
] |
[
0.8333333333333334,
0.16666666666666666
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[
27,
27,
27,
27,
27,
41
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_239"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8354510341254696163480658
|
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| 2025-04-16T16:47:21
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.411242
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[
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0,
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CO_1062910383906273652501359
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[
true,
true,
true
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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
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"V"
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[
0.5,
0.25,
0.25
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[
27,
27,
27,
27,
41,
41,
23,
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| 3
| 3
|
[
1,
1,
1
] |
[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_8354727403636121552932627
|
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| 2025-04-16T17:49:42
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.673905
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[
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[
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0.0013972242329202262,
0.01881658963725655
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| null | null | null | null | null | 0.570954
| 0.326313
| null |
CO_9137660533438596240859569
|
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[
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[
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[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8365495000938169490036861
|
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| 2025-04-16T18:14:35
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.432247
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[
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[
0.329174,
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0.044791
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[
0.329084,
0.094044,
0.044694
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[
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0.04704250394214715
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[
-0.026127019616038572,
0.04704250394214715,
-0.001069607418902614
]
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| null | null | null | null | null | 0.346851
| 0.346006
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CO_1075334809651672517734377
|
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[
0.10626,
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[
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[
2.98865,
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[
2.9408,
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[
true,
true,
true
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Co4Nb4
|
CoNb
|
AB
|
[
"Co",
"Nb"
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[
0.5,
0.5
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[
27,
27,
27,
27,
41,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_72"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1786862040019571318609017
|
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| 2025-04-17T17:56:16
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.694458
|
[
[
-0.001828,
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0.43094
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0.004291,
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[
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[
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[
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[
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0.006064687172346986,
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| null | null | null | null | null | 0.503351
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| null |
CO_9426637396623850795672914
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|
[
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1.33664,
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[
0.009059,
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[
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[
1.3484,
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2.22675
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[
2.68757,
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2.21084
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] |
[
true,
true,
true
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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_240"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8417987327333239557793227
|
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| 2025-04-16T17:21:07
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.377812
|
[
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0.079137,
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0.446142
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[
0.16441,
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[
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[
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0.01599960932347166
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[
0.006061254342327749,
0.01599960932347166,
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]
] | true
| null | null | null | null | null | 2.391466
| 0.963668
| null |
CO_1068662882513737395935958
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|
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|
[
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[
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[
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[
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[
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3.31544
],
[
-4.35142,
2.44457,
0.38607
]
] |
[
true,
true,
true
] |
Co4Nb3V
|
Co4Nb3V
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.375,
0.125
] |
[
27,
27,
27,
27,
41,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_130"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1816064710743708591964213
|
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| 2025-04-16T16:50:09
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -48.97635
|
[
[
0.266781,
0.1547,
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[
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0.15393,
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[
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[
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[
0.000081,
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0.000035
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[
0.000123,
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0.000035
]
] |
[
[
0.013980231460883391,
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0
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[
-6.865660038471584e-7,
0.013979919385427097,
0
],
[
0,
0,
0.01016997738480544
]
] | true
| null | null | null | null | null | 0.308546
| 0.154246
| null |
CO_2540421695517312283924183
|
2540421695517312283924183202288703151703424030853057662981822970215106091056456023538002910206179083623933122776170487236617730644698968404941817967821063
|
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|
[
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3.86823
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[
4.21907,
2.43588,
0
],
[
0,
4.87177,
0
]
] |
[
[
1.88528,
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[
2.33379,
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[
0.00002,
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0
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[
1.40635,
2.4359,
0
],
[
2.8127,
4.87177,
0
]
] |
[
true,
true,
true
] |
Co3NbV2
|
Co3NbV2
|
A3B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.16666666666666666,
0.3333333333333333
] |
[
27,
27,
27,
41,
23,
23
] | 6
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_374"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8443776416578295326395159
|
8443776416578295326395159378037390943349082912417906030807164365319575460834842869007966825700491750836706265076029909418121153877106182033753776365612939
| 2025-04-17T18:48:22
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.342215
|
[
[
-0.000008,
0.000036,
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[
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0.000005
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[
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[
0.291084,
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0.000003
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[
0.00005,
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[
0.2307,
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[
-0.230749,
0.230711,
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],
[
0.00005,
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0.475787
]
] |
[
[
0.00593455170707232,
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0
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[
-0.01141353566304642,
0.005934614122163578,
0
],
[
0,
0,
-0.006931507959749651
]
] | true
| null | null | null | null | null | 0.475787
| 0.324081
| null |
CO_1023064915225918583775138
|
10230649152259185837751382074674069278272212730777054404881023808681175096305645991542245407264626783731040312347273221060068345096957308514161602786305163
|
4242142729291952348517627874452168478763515660473039822003971483723350088089963252407446915821383080972629402971192899473377688762393442824729636322035220
|
[
[
1.78676,
1.78676,
0
],
[
-3.58583,
3.58583,
0
],
[
0,
0,
7.37128
]
] |
[
[
0,
0,
0.01869
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[
0.07276,
1.71401,
1.84282
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[
0,
0,
3.66695
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[
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3.65859,
1.84282
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[
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1.79292,
3.4377
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[
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5.52846
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[
-0.00745,
1.79422,
5.52846
],
[
-1.79292,
1.79292,
0.24794
]
] |
[
true,
true,
true
] |
Co4V4
|
CoV
|
AB
|
[
"Co",
"V"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
27,
23,
23,
23,
23
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_279"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1826063091479612995286423
|
1826063091479612995286423811358808689982356295193444116242389837031866357513646569224523281726941174216651465792540749979141204242285025477341096925454593
| 2025-04-16T18:09:08
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.039709
|
[
[
-0.071701,
0.449667,
0.021865
],
[
-0.056355,
0.423779,
0.022408
],
[
0.054307,
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[
0.05185,
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0.528385
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[
0.029954,
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[
-0.004415,
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[
-0.000328,
0.626745,
0.522423
],
[
-0.003313,
0.145768,
0.762908
]
] |
[
[
-0.018104121370536977,
-0.00023823840333496397,
-0.0018704554548446947
],
[
-0.00023823840333496397,
0.017530464266777047,
0.0006607885711572605
],
[
-0.0018704554548446947,
0.0006607885711572605,
-0.017395897330023002
]
] | true
| null | null | null | null | null | 0.948049
| 0.699481
| null |
CO_9129356525817689073693035
|
9129356525817689073693035514435079035866971879783936649841803384355599920265459935478673897566797683345407775887864543770563698035923202918671233021738142
|
11987942821911440929569433233512899561056515507262390910005476108684726581761059302348902990023425327764878613320014187625488287834393190551747547213835905
|
[
[
2.84247,
0.023735,
0.024985
],
[
1.32753,
-0.828136,
8.71811
],
[
0.051364,
-4.4687,
0.32437
]
] |
[
[
1.46243,
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2.17808
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[
2.84763,
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4.28097
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[
1.36819,
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4.71818
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[
2.80556,
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7.01886
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[
1.43331,
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0.2578
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[
2.83066,
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2.75813
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[
1.37372,
-2.81462,
6.32225
],
[
1.36843,
-4.85883,
8.88526
]
] |
[
true,
true,
true
] |
Co4Nb3V
|
Co4Nb3V
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.375,
0.125
] |
[
27,
27,
27,
27,
41,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_35"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8434725898822579924931345
|
8434725898822579924931345024038524107642655900604551517035619085555857732383034448619051225419567660533371751040375147078080907774535884871970355195410903
| 2025-04-16T18:55:55
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -47.681787
|
[
[
0,
0,
0.712819
],
[
0,
0,
-0.000015
],
[
0,
0,
-0.712772
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[
0,
0,
-0.434104
],
[
0,
0,
0.000041
],
[
0,
0,
0.434031
]
] |
[
[
-0.005320262378902889,
0,
0
],
[
0,
-0.005320262378902889,
0
],
[
0,
0,
-0.015494359159731413
]
] | true
| null | null | null | null | null | 0.712819
| 0.382297
| null |
CO_1802581151669277027568004
|
1802581151669277027568004024471427957716675254360360828795678401199744436178569859968524591640402221031385318798659787261291707216604609008586561690504581
|
7995249087904893345489025660646132874284708985580687010109607270358240294027155157410468926341137217821952822692364447056872241803785587834291508622346021
|
[
[
1.80933,
1.80933,
0
],
[
-1.80933,
1.80933,
0
],
[
0,
0,
10.9192
]
] |
[
[
0,
0,
0.07838
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[
0,
1.80933,
1.81987
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[
0,
0,
3.56135
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[
0,
1.80933,
5.29216
],
[
0,
0,
7.27946
],
[
0,
1.80933,
9.26677
]
] |
[
true,
true,
true
] |
Co3V3
|
CoV
|
AB
|
[
"Co",
"V"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
23,
23,
23
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_249"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8419826819970359802704627
|
8419826819970359802704627281561743173635454857080692224206496044951732424315216433658754265952211386960990757737082963171635461106639726387510474241605306
| 2025-04-16T18:34:37
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.375065
|
[
[
0.000461,
-0.000256,
0.1663
],
[
-0.00135,
0.000777,
0.037136
],
[
0.002006,
-0.001161,
-0.818076
],
[
-0.001838,
0.001063,
0.815577
],
[
-0.001552,
0.000896,
-0.139058
],
[
0.006836,
-0.003953,
0.265754
],
[
-0.003948,
0.002281,
-0.294048
],
[
-0.000614,
0.000353,
-0.033584
]
] |
[
[
-0.0017955573453340957,
7.48981095105991e-7,
0.00019791825438175811
],
[
7.48981095105991e-7,
-0.0017951204396952837,
-0.00011446927736869894
],
[
0.00019791825438175811,
-0.00011446927736869894,
-0.0025688179109397725
]
] | true
| null | null | null | null | null | 0.818079
| 0.321218
| null |
CO_9567880943540043602917196
|
9567880943540043602917196536778803338632469325557098340098543165118922341603282749656259851538377031887023538417464914690070303971467235758392728130710235
|
981892212750063150813414254964197322618879752019870505584275323519794588357324181271516743635632008776117029112315388184364901976047809180476494380105140
|
[
[
2.67132,
-0.000076,
0.003314
],
[
-1.33573,
2.31339,
-0.003316
],
[
1.34298,
-0.775368,
17.5408
]
] |
[
[
2.67149,
-0.00018,
0.10168
],
[
1.33643,
0.77062,
2.09513
],
[
0.00206,
1.54102,
4.30597
],
[
2.67834,
-0.00413,
15.6102
],
[
1.3387,
0.76931,
8.60861
],
[
1.34025,
0.76842,
13.4535
],
[
2.67441,
-0.00186,
6.19006
],
[
2.67598,
-0.00277,
11.0355
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_184"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8424095298660179096461792
|
8424095298660179096461792599384929983273292600364548660185599918330416528519170071269979398375281159356475139560663366847429822928938245470213382840153319
| 2025-04-16T18:43:09
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.585066
|
[
[
0.000023,
0.000714,
0.000004
],
[
-0.253685,
-0.000018,
0.25233
],
[
0.253692,
-0.000017,
-0.252325
],
[
0.000022,
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0.000005
],
[
2.719288,
-0.00006,
-2.720013
],
[
-2.719364,
-0.000061,
2.719947
],
[
0.000032,
0.000087,
0.000046
],
[
-0.000009,
0.000007,
0.000005
]
] |
[
[
0.0005295920493311944,
6.241509125883259e-8,
0.011324968648550137
],
[
6.241509125883259e-8,
-0.004878425947881613,
6.241509125883259e-8
],
[
0.011324968648550137,
6.241509125883259e-8,
0.0005533721991008096
]
] | true
| null | null | null | null | null | 3.846174
| 1.05118
| null |
CO_8783532618179864010543792
|
8783532618179864010543792910637118441210439198045672292550971210561422899373584937100963682967089020964531469074448575430596289883181513622537089161652724
|
1193054653013026621979007446088112066876398289147701219764387672276143867495690597866549300600336081197194421914223536883164297169537391471966111519295301
|
[
[
1.87222,
3.74444,
1.87222
],
[
-1.87222,
3.74444,
-1.87222
],
[
-5.61665,
0,
1.87222
]
] |
[
[
-3.74444,
5.61665,
1.87222
],
[
0,
3.74444,
0
],
[
-1.87222,
3.74444,
1.87222
],
[
-3.74444,
1.87222,
1.87222
],
[
0,
0,
0
],
[
-3.74444,
3.74444,
0
],
[
-1.87222,
5.61665,
0
],
[
-1.87222,
1.87222,
0
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_267"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8447164102267166094114752
|
8447164102267166094114752382936983369162253607878578270823715163565312022322077124311350348024491422671619404599765857423614072888404917201282244740558854
| 2025-04-16T16:08:11
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.795259
|
[
[
0.000407,
0.011358,
-1.161118
],
[
-0.000605,
-0.095588,
1.346854
],
[
0.00001,
0.202745,
0.268309
],
[
-0.000035,
-0.176728,
0.556392
],
[
-0.000011,
1.502406,
0.160326
],
[
-0.000344,
-1.501933,
-2.384529
],
[
-0.000068,
-0.103753,
3.968968
],
[
0.000646,
0.161493,
-2.755202
]
] |
[
[
-0.028969527702148327,
-0.00002802437597521583,
0.000002808679106647466
],
[
-0.00002802437597521583,
-0.027680156746923368,
0.004166956322622181
],
[
0.000002808679106647466,
0.004166956322622181,
-0.03550763334169356
]
] | true
| null | null | null | null | null | 3.970324
| 1.811351
| null |
CO_2609074209879026661640044
|
2609074209879026661640044042078236635151498429176050864786196570948913845907943967112857423060526946603574070400207993016809770787577002727511825689108943
|
8434911734549815675050132341721102150312206556661799531976675311986037717915815272583264827416694404407117523252484183981622436166000225280714405720143294
|
[
[
2.68665,
0,
0
],
[
1.34332,
-2.3267,
8.77455
],
[
0,
-4.65341,
0
]
] |
[
[
1.34332,
-2.3267,
0
],
[
2.68665,
-3.10227,
4.38727
],
[
1.34332,
-3.87784,
6.58091
],
[
2.68665,
-6.20454,
6.58091
],
[
1.34332,
-3.87784,
2.19364
],
[
2.68665,
-1.55113,
2.19364
],
[
1.34332,
-5.42898,
4.38727
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co4Nb3V
|
Co4Nb3V
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.375,
0.125
] |
[
27,
27,
27,
27,
41,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_302"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8455013236618724670865205
|
8455013236618724670865205727131198382853583020825511172245456269021278755625958174899720304315699819124108001136134716918567405120280109550443164152585286
| 2025-04-17T18:06:06
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -60.542752
|
[
[
0,
0,
0.543938
],
[
0,
0,
-0.111219
],
[
0,
0,
-0.000005
],
[
0,
0,
0.111316
],
[
0,
0,
-0.543968
],
[
0,
0,
0.000038
],
[
0,
0,
4.439896
],
[
0,
0,
-4.439996
]
] |
[
[
-0.03677659456207689,
0,
0
],
[
0,
-0.03677659456207689,
0
],
[
0,
0,
-0.04692066968400991
]
] | true
| null | null | null | null | null | 4.439996
| 1.273797
| null |
CO_1560707720358781852839684
|
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0,
0,
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[
0,
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[
0,
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12.7814
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] |
[
true,
true,
true
] |
Co5NbV2
|
Co5NbV2
|
A5B2C
|
[
"Co",
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"V"
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[
0.625,
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0.25
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[
27,
27,
27,
27,
27,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_99"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1877464991280401703645556
|
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| 2025-04-16T17:47:45
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.137041
|
[
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0
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[
0,
0,
-0.01664279683889393
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| null | null | null | null | null | 0.27443
| 0.150491
| null |
CO_1130625165116935075938948
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0
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0,
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3.02368
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[
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[
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0
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[
true,
true,
true
] |
Co5Nb2V
|
Co5Nb2V
|
A5B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.625,
0.25,
0.125
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[
27,
27,
27,
27,
27,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_343"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1956688263947635427372637
|
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| 2025-04-16T18:15:45
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -47.122531
|
[
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0.001754,
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0.993943
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[
0.002045,
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[
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[
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[
-0.000003120754562941629,
-0.01072172679153352,
-0.018313461586619104
]
] | true
| null | null | null | null | null | 1.646893
| 1.602035
| null |
CO_7536826574529027588948082
|
7536826574529027588948082939134287237949662288563682034111001852395547539533738268034286928168410735378268915173193038976685768579472752955371020872553961
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|
[
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0
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[
0,
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[
[
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[
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[
0,
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6.47042
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[
0,
0,
0
],
[
1.32077,
0.76255,
2.15681
]
] |
[
true,
true,
true
] |
Co4Nb2
|
Co2Nb
|
A2B
|
[
"Co",
"Nb"
] |
[
0.6666666666666666,
0.3333333333333333
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[
27,
27,
27,
27,
41,
41
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_54"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8565573580594352115322049
|
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| 2025-04-16T21:51:46
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.306764
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[
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0.000063,
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[
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[
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[
-0.000142,
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0.00013
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[
[
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[
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],
[
-0.006767231439556405,
0.006767730760286476,
-0.031085336880731493
]
] | true
| null | null | null | null | null | 2.334724
| 0.802475
| null |
CO_7226047689375440521324860
|
7226047689375440521324860396682530956977553978126547712709110932474977642297022216388299470903004781715338477960822999356356979319585055010400774184265910
|
4952274291780570320859930573249104150644581259033888010879095000862286967000259001355062887335504344457841972470978696412954292109201098614078187200693950
|
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[
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[
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5.36111
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[
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[
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[
0.42727,
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[
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[
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[
-1.53126,
3.92814,
4.22941
],
[
-3.86955,
3.86955,
5.83402
]
] |
[
true,
true,
true
] |
Co5Nb2V
|
Co5Nb2V
|
A5B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.625,
0.25,
0.125
] |
[
27,
27,
27,
27,
27,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_363"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8567762039704725774521978
|
8567762039704725774521978667157490931314396491168489269221463028638990001391070127297663318206461167907516980895710770533169208127887025181162216776211004
| 2025-04-16T20:44:25
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.743327
|
[
[
0,
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0.065941
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[
0,
0.13998,
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[
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[
0,
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[
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[
0,
0.225262,
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[
0,
0.362735,
0.582036
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[
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0,
0
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[
0,
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-0.024161942882845493
],
[
0,
-0.024161942882845493,
0.023359035148891868
]
] | true
| null | null | null | null | null | 0.685815
| 0.426218
| null |
CO_8901314097883862363630394
|
8901314097883862363630394694753430339198234003789846477212375229072599364330790751644523494803768738090521218039793729937166765299310047541675064256170694
|
11260730987530821789613702041519620332449759188672065788161982954448536001844184820633731216791820854306947409686120735899380255409728444587690868000770373
|
[
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0,
0
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[
0,
3.7571,
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[
0,
1.60445,
8.62283
]
] |
[
[
1.6356,
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8.10905
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[
0,
3.41999,
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[
0,
1.4926,
4.30268
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[
1.6356,
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[
0,
3.60689,
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[
1.6356,
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2.24397
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[
1.6356,
1.39029,
6.26068
],
[
0,
3.25599,
6.16682
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_216"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8591561672374992624717617
|
8591561672374992624717617099908332087193182048613917157135826393448963073005335080469694198968524440930562765489725616380319261007129817678861278943638930
| 2025-04-16T20:22:27
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -50.960422
|
[
[
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0.187467,
0.795016
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[
-0.698701,
0.917662,
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[
0.887799,
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0.007635
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[
1.008409,
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[
0.821128,
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0.532082
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[
-0.776455,
0.468537,
0.022174
]
] |
[
[
0.0022368944556253006,
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0.011792083191531239
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[
0.010593214118631582,
0.019363470666866445,
0.01377451132009428
],
[
0.011792083191531239,
0.01377451132009428,
0.036857110029800785
]
] | true
| null | null | null | null | null | 1.486676
| 1.207379
| null |
CO_6909875616689109652697088
|
6909875616689109652697088102902701405016779094568173411062718933005368392212423965842847267019322669671650068909123552213587358792846034572019804907551726
|
10554253474675365316711913460471170772182854955036934610788116034532490999523720785336938698914723923035324541881500164634630000234046377857813073528498922
|
[
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[
0.077294,
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[
-1.30828,
2.47548,
4.2456
]
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[
[
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4.04287
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[
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[
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1.93451
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[
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2.3761
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[
-1.45854,
0.90163,
1.5184
],
[
-4.79572,
4.4045,
4.22328
]
] |
[
true,
true,
true
] |
Co3Nb2V
|
Co3Nb2V
|
A3B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.3333333333333333,
0.16666666666666666
] |
[
27,
27,
27,
41,
41,
23
] | 6
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_229"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1998261653973232269528681
|
1998261653973232269528681758251648751854762473714639315815995758932599357508801316661711709538800636663245575870097445176977882763651885378353336964637473
| 2025-04-16T18:08:14
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.959106
|
[
[
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0.0218,
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[
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0.04331,
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[
0.018603,
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[
0.023337,
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[
0.217315,
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[
0.000047,
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[
-0.21728,
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[
-0.000071,
0.000012,
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]
] |
[
[
0.014337120952701397,
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0
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[
-0.0013161470293750026,
0.014972256921351278,
0
],
[
0,
0,
0.01787356002342685
]
] | true
| null | null | null | null | null | 0.260871
| 0.085
| null |
CO_9117755121388800824594054
|
9117755121388800824594054447801822418356267477566055508090765497692564781437674773710892166172697371559508123515741825148369217102288278204926518066430811
|
10312711092878411256446277560141537491246969129504808324729107241922187131487402671764282565927815542712199221001597282299171812766398047314376030818327942
|
[
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3.20365
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[
2.10957,
6.32823,
0
],
[
-4.1417,
4.041,
0
]
] |
[
[
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1.60182
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[
0.22618,
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[
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[
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1.60182
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[
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[
0.03871,
8.34873,
0
],
[
-2.01108,
6.231,
0
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co4Nb3V
|
Co4Nb3V
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.375,
0.125
] |
[
27,
27,
27,
27,
41,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_195"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1830374737919145459921841
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| 2025-04-16T18:41:25
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DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -48.653339
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0,
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CO_8213370999734939595140726
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[
true,
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true
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Co3NbV2
|
Co3NbV2
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A3B2C
|
[
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[
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[
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| 3
| 3
|
[
1,
1,
1
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_2003916507150926275109667
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| 2025-04-16T20:05:02
|
DS_sn623uhg2d1b_0
| 1
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VASP
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DFT
| -59.596741
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0
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[
0,
0,
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| null | null | null | null | null | 1.798779
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CO_1098538205346287459980728
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[
true,
true,
true
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Co6V2
|
Co3V
|
A3B
|
[
"Co",
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[
0.75,
0.25
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[
27,
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23,
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| 2
| 3
|
[
1,
1,
1
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_8588887379389303853513489
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| 2025-04-16T21:51:46
|
DS_sn623uhg2d1b_0
| 1
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VASP
|
DFT
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0
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[
0,
0,
0.032760433099936044
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| null | null | null | null | null | 0.762798
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CO_4977126827025808850323016
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0,
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0
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[
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[
0,
0,
0
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[
2.58752,
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0
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[
true,
true,
true
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Co4NbV
|
Co4NbV
|
A4BC
|
[
"Co",
"Nb",
"V"
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[
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
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[
27,
27,
27,
27,
41,
23
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| 3
| 3
|
[
1,
1,
1
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[
"CoNbV_CMS2019_77"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_8602278422617687543626234
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| 2025-04-16T18:28:24
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.255893
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[
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[
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[
0.008999007857698482,
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]
] | true
| null | null | null | null | null | 1.264691
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CO_7475287202613541198622725
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747528720261354119862272588602436364371621115239814685184056842663143904054395465869327594844140259323848298747997688444756433251643574942277765384761719
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[
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17.0734
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[
[
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[
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[
1.53994,
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14.9725
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[
true,
true,
true
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Co4Nb4
|
CoNb
|
AB
|
[
"Co",
"Nb"
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[
0.5,
0.5
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[
27,
27,
27,
27,
41,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
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[
"CoNbV_CMS2019_262"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_8635608136784304258491626
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| 2025-04-16T22:04:30
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.419105
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[
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0.56336,
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[
0.000011,
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[
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[
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0
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1.2483018251766518e-7
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[
0,
1.2483018251766518e-7,
0.016909496523842923
]
] | true
| null | null | null | null | null | 0.56336
| 0.208116
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CO_1128426319625615084239573
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11284263196256150842395734929099084084124792332086004903361625212739787706203104810944112750475212478762651876343030133438985605203859097227993783142237750
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[
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[
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[
1.30338,
2.61144,
0
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[
0,
7.47277,
2.16596
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] |
[
true,
true,
true
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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
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[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_200"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_2048330017402004206263816
|
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| 2025-04-17T18:37:27
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.087828
|
[
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0.112121,
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[
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[
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[
0.000009,
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[
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0.02196237265179297
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[
-0.0022607994355774335,
0.02196237265179297,
-0.05568630751549161
]
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| null | null | null | null | null | 0.915241
| 0.3858
| null |
CO_7496583833340087244306961
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7496583833340087244306961176843498418563722583797790703045383025754706599465940463022346317093144415725281494354918824679675912947086304395806085030392358
|
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|
[
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[
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[
0.195789,
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3.76945
]
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[
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[
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[
0.09789,
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1.88473
],
[
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6.04166
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] |
[
true,
true,
true
] |
Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.125,
0.375
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[
27,
27,
27,
27,
41,
23,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_256"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2058848914138467957035789
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| 2025-04-16T21:37:17
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.444622
|
[
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0.101942,
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0.000027
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0.073512,
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[
0.452963,
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0.00003
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[
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0.643917,
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[
[
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[
0.009772455668577935,
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[
-6.241509125883259e-8,
1.2483018251766518e-7,
0.0032284205953631152
]
] | true
| null | null | null | null | null | 0.78728
| 0.460555
| null |
CO_4607574634462832264962170
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[
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4.31245
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[
3.97236,
2.2862,
0
],
[
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0
]
] |
[
[
1.29311,
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0
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[
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[
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[
0.18785,
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0
],
[
2.46949,
3.28243,
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] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_222"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2058435609553263073888043
|
2058435609553263073888043325828666381054413655986318268238823145238972178207822147145890736746138534016860743450951111623881079315579135607940680880747563
| 2025-04-16T18:53:17
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -49.776379
|
[
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0.685467,
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[
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[
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[
-0.000684443890744358,
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0.017462057326757367
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| null | null | null | null | null | 0.791471
| 0.426208
| null |
CO_9314720887157102274763745
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|
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0
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[
0,
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0
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[
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[
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0
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0
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[
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[
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2.18315
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co3Nb2V
|
Co3Nb2V
|
A3B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.3333333333333333,
0.16666666666666666
] |
[
27,
27,
27,
41,
41,
23
] | 6
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_39"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2050246285137236103320494
|
2050246285137236103320494479730871414470474654386727049970081150758425392238955776652588809630865037254260128200149784262147402709137588889639936744998221
| 2025-04-16T22:04:30
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -68.162601
|
[
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0,
0.036008
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0,
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[
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0,
0.252582
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[
-0.252583,
0,
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[
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0,
0
],
[
0,
0.035092947475369875,
0
],
[
0,
0,
-0.00853183089962612
]
] | true
| null | null | null | null | null | 0.357207
| 0.204065
| null |
CO_2962505475439223251629812
|
2962505475439223251629812724585890339884354191494867879942689166732134319195818665617569358194720986924428881988290904878103343897583146922997652784965418
|
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|
[
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0,
3.58418,
0
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[
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0,
3.98893
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[
3.98893,
0,
3.98893
]
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[
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[
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[
1.83114,
0,
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[
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[
2.09689,
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3.8865
],
[
-1.89204,
0,
2.09689
]
] |
[
true,
true,
true
] |
Co4Nb4
|
CoNb
|
AB
|
[
"Co",
"Nb"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
27,
41,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_93"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2072288937482715588617517
|
2072288937482715588617517817411416004191102477509302421504140894918117899589748620289791496401095665851142003364405716439373607020196535105540196264826088
| 2025-04-16T21:09:01
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.063043
|
[
[
0.985216,
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[
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0.478931,
0.87087
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[
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[
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[
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[
-0.089968,
0.050004,
0.671919
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[
0.40495,
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] |
[
[
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[
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],
[
0.012040994575471463,
-0.006413400287210083,
-0.01779329421606799
]
] | true
| null | null | null | null | null | 1.861117
| 0.827676
| null |
CO_1335917988591070242843655
|
13359179885910702428436553473884893241833384105890414730558851140280594541038389089601850344995099111233290615728055033024993243045151972609034393458430744
|
4522750495701636333062179794010680865041401590069614627650912509471185343386869930637602903890268276082454205377911250787118698517369277509201820221895237
|
[
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[
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[
1.2658,
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16.5435
]
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[
[
1.17634,
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[
0.24781,
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4.03997
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[
1.12208,
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8.35988
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[
2.52613,
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14.4191
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[
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0.10709
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[
2.50447,
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6.04498
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[
2.6007,
0.17445,
10.1878
],
[
0.3995,
1.44558,
12.5778
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_81"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8683105043237865839218492
|
8683105043237865839218492197469583442760337302342584073239808905059454180748367811693563815688136587219453917521913439928132277657914844151717727028333011
| 2025-04-16T21:22:14
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.434991
|
[
[
-0.000047,
0.155524,
0.000036
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[
-0.000025,
-0.594394,
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[
0.000024,
0.572568,
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[
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[
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0.330355,
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[
0.000021,
1.753001,
0.000025
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[
0.000036,
-0.938788,
0.000018
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[
0.000035,
-0.976839,
0.000054
]
] |
[
[
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0
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[
-6.241509125883259e-8,
0.014024109270038353,
0
],
[
0,
0,
0.002658133906531162
]
] | true
| null | null | null | null | null | 1.753001
| 0.702862
| null |
CO_3635646420596613526921739
|
3635646420596613526921739084399848144157770696739993209716221199860534286201185790894955786404860898324393533247769474965259982545095126661545934041294007
|
8541045091350295890749972945690560468686578172246050241513749800092529119984706061549381826778757110039417567965166283881301884823912002352905894147297420
|
[
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0,
0
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[
0,
8.99117,
0
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[
0,
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4.03545
]
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[
[
0,
4.49078,
0
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[
0,
2.8742,
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[
1.45984,
4.85455,
2.01773
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[
0,
7.37584,
2.01773
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[
0,
0.37681,
0
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[
1.45984,
6.47641,
0
],
[
1.45984,
2.80977,
0
],
[
1.45984,
0.7122,
2.01772
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_110"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8680809933672977181118984
|
8680809933672977181118984101415760230330627579077950198921585440375806799213672868777675046854049486783731911740133050531109537555053015113321490589956668
| 2025-04-16T16:03:49
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.530508
|
[
[
0.472844,
0.154719,
-0.093148
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[
0.174619,
-0.094724,
0.002467
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[
0.000123,
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0.000266
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[
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[
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[
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0.152336
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[
0.496972,
0.435518,
-0.15275
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[
-0.000057,
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0.0001
]
] |
[
[
0.000839545392522557,
0.0030789364517982113,
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[
0.0030789364517982113,
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0.002955791476744534
],
[
-0.0027905163150911457,
0.002955791476744534,
0.021416802339099518
]
] | true
| null | null | null | null | null | 0.678251
| 0.345811
| null |
CO_3997778924723943644373228
|
3997778924723943644373228034148281699004774207027626388202442776151422386149289289592359390971492358521464527642706129236108131252787939717789957083524302
|
6143532406233514900678506596205057302224280746237501305153637385447946159642911227449358028458847071026461467896612956996924839656084893466384939328949845
|
[
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[
-2.26624,
2.83942,
0.096715
],
[
1.19005,
0.695207,
15.588
]
] |
[
[
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0.38609
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[
0.37918,
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[
0.45644,
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6.15736
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[
0.14245,
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10.0981
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[
1.12822,
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[
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3.93644
],
[
1.29433,
0.8096,
7.97861
],
[
2.18464,
1.50406,
13.903
]
] |
[
true,
true,
true
] |
Co5Nb3
|
Co5Nb3
|
A5B3
|
[
"Co",
"Nb"
] |
[
0.625,
0.375
] |
[
27,
27,
27,
27,
27,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_325"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8691853105026909487562165
|
8691853105026909487562165628933124320438555862867591670801179415537881560220218926268534366341799839240590896443720049381143328454002032676493415337587717
| 2025-04-16T20:15:53
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.521893
|
[
[
0,
0.677706,
0.638945
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[
0,
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[
0,
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[
0,
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[
0,
0.053767,
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[
0,
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0.442134
],
[
0,
0.219446,
0.826043
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[
0,
0.084644,
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]
] |
[
[
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0,
0
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[
0,
0.014037403684476483,
0.0007125930969020915
],
[
0,
0.0007125930969020915,
0.004947457038813882
]
] | true
| null | null | null | null | null | 0.931416
| 0.669819
| null |
CO_3391525774111641541115387
|
3391525774111641541115387294422454776706413507813335920653704949569169910038116579430954993796110225122481371041438735968398422865403313783687841973145583
|
12988656724851670739919419759648160291405418595713275213028363313651906596650296714322769263516186555457478777756452245542336535668244729172858179232747758
|
[
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0
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[
0,
4.37911,
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],
[
0,
1.40954,
8.41392
]
] |
[
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[
0,
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[
1.41106,
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[
0,
4.34924,
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[
1.41106,
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[
0,
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1.70318
],
[
0,
1.71819,
7.98235
],
[
1.41106,
3.47959,
4.27619
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_360"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8691981565743168982202957
|
8691981565743168982202957260510579738538506651029303071862110535829476884732664976098453489670914156162875695512757448259984100455138695015845891937648923
| 2025-04-16T17:16:57
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -49.25111
|
[
[
0.33706,
0,
-0.33706
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[
-0.000001,
0,
0.000001
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[
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0,
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[
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0,
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[
-0.024479,
0,
0.024479
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[
0.000002,
0,
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] |
[
[
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0.006479560283944446,
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[
0.006479560283944446,
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0.006479560283944446
],
[
0.006494602320937824,
0.006479560283944446,
-0.0039408264469914306
]
] | true
| null | null | null | null | null | 0.476676
| 0.170432
| null |
CO_1280492065696225224139450
|
1280492065696225224139450203478312422104052822162879578160081856244134635786579368581161923938399022221695484078952463684287461027710578749933611940472857
|
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|
[
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1.89066
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[
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1.89066,
1.89066
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[
-1.89066,
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3.78132
]
] |
[
[
0,
1.89066,
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[
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3.78132
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[
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[
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0,
1.89066
],
[
-3.78132,
0,
3.78132
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co3Nb2V
|
Co3Nb2V
|
A3B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.3333333333333333,
0.16666666666666666
] |
[
27,
27,
27,
41,
41,
23
] | 6
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_168"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8700217020916533354237937
|
870021702091653335423793712059220114936926929713523750482540437084262290828723958552830815236574413209955772841368268857300369522013822177390273554449260
| 2025-04-16T21:56:50
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.708444
|
[
[
-0.093277,
-0.150717,
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[
0.177346,
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0.591146
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[
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[
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[
0.019605,
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[
0.115186,
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0.296959
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[
0.291468,
0.501638,
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[
-0.350467,
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-0.401011
]
] |
[
[
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[
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0.009240679091052681
],
[
-0.0012259572225059895,
0.009240679091052681,
-0.004764580821425502
]
] | true
| null | null | null | null | null | 0.937922
| 0.572697
| null |
CO_1098164536041491210385546
|
10981645360414912103855468796905261121958172265788274981347856864170414367303285287066184044745250817918751213413552051326890929061877324600838375275930417
|
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|
[
[
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0.05199
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[
-1.40664,
2.10791,
-0.143314
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[
1.1833,
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15.6531
]
] |
[
[
0.18219,
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[
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[
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[
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[
1.40527,
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[
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1.90945
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[
-0.16382,
0.59373,
4.05208
],
[
3.12439,
-0.30659,
13.9755
]
] |
[
true,
true,
true
] |
Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.125,
0.375
] |
[
27,
27,
27,
27,
41,
23,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_86"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2108623448741329897292903
|
2108623448741329897292903608787764590908407992386138588068543174837983204483980240390088605841487291557850004125377867915148320111727100173828642153357064
| 2025-04-17T18:16:17
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.467835
|
[
[
0.424273,
0.005839,
0.009223
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[
-0.258828,
0.293566,
-0.603005
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[
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0.112308
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[
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0.303879
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[
0.061241,
0.220226,
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[
0.118873,
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0.195081
],
[
0.304819,
-0.288505,
-0.100674
],
[
0.189733,
-0.112861,
0.288188
]
] |
[
[
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0.007101776328703747,
-0.0017390716877448522
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[
0.007101776328703747,
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0.00009212467469803689
],
[
-0.0017390716877448522,
0.00009212467469803689,
-0.015723297714468808
]
] | true
| null | null | null | null | null | 0.72725
| 0.45947
| null |
CO_1706725970576713313464740
|
1706725970576713313464740556885909081309266988101452728431399784270700819919336334711647855717760367564682669320832494262910084946993763322117594493571642
|
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|
[
[
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[
1.20101,
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7.88204
],
[
-0.192923,
-4.50125,
-0.867261
]
] |
[
[
0.03022,
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-0.69851
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[
1.2055,
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1.29483
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[
1.99955,
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3.55109
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[
1.33937,
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5.16776
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[
2.51434,
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7.20415
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[
2.38234,
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1.56337
],
[
0.44709,
-4.7226,
3.13565
],
[
2.70113,
-1.58824,
5.70474
]
] |
[
true,
true,
true
] |
Co4V4
|
CoV
|
AB
|
[
"Co",
"V"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
27,
23,
23,
23,
23
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_102"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8715707207256949435242989
|
8715707207256949435242989128270984228544736675680145053754957345501304593279104266224797062916184466465420908535057818124377119342349525516850498209569483
| 2025-04-16T21:27:46
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.101483
|
[
[
-0.067119,
0.023671,
-0.039595
],
[
-0.057268,
-0.036744,
-0.145439
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[
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0.076838
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[
0.017159,
0.084738,
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],
[
0.132277,
0.456894,
-0.130166
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[
0.014984,
-0.228192,
0.219625
],
[
-0.159611,
-0.376234,
0.239212
],
[
0.144059,
0.112663,
-0.171936
]
] |
[
[
0.003798894529468845,
-0.003263123386103026,
0.0016666701818846062
],
[
-0.003263123386103026,
0.023361406922359707,
0.0036507211028203768
],
[
0.0016666701818846062,
0.0036507211028203768,
0.0034897525824638467
]
] | true
| null | null | null | null | null | 0.493146
| 0.245573
| null |
CO_8583577414246467198267899
|
8583577414246467198267899710124919390655943365189554363943290160479187120421010800296522239144997396487885980263932942357433345525704709803992953517845539
|
7488632458409181674579609313574637979407686481568337103209573417925757893224028319069912963753496551759864635825536117737544153140829171816870547398106567
|
[
[
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2.11043,
0.115272
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[
-3.01977,
-5.31755,
-0.272367
],
[
-1.13496,
2.21909,
3.91794
]
] |
[
[
-4.19911,
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-0.14479
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[
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1.00837,
2.12823
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[
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0.52861,
1.79385
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[
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1.87509
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[
-6.83816,
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0.3788
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[
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3.89109
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[
-2.71624,
-0.59847,
3.22008
],
[
-4.77895,
-1.8479,
1.80326
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_98"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8716956036937312247521253
|
8716956036937312247521253657761890975002415263765577673980606516638992626811920970424204452890774422568435769888500263736009369616902894799735545948841750
| 2025-04-16T20:32:46
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -47.872776
|
[
[
0.003832,
1.035867,
-0.634353
],
[
0.078387,
0.178559,
0.083315
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[
-0.078364,
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-0.083242
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[
-0.003813,
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0.63421
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[
-0.011876,
0.240825,
0.152689
],
[
0.011833,
-0.240968,
-0.152619
]
] |
[
[
-0.020271173339043644,
0.0022325878143284413,
0.0016247272405586707
],
[
0.0022325878143284413,
-0.011259682463093397,
0.004486271929502368
],
[
0.0016247272405586707,
0.004486271929502368,
-0.040714612329961666
]
] | true
| null | null | null | null | null | 1.214676
| 0.570686
| null |
CO_1057903044995570677278269
|
10579030449955706772782690181410361106633030163482870161896446599010201198970332323692359823978544596517514396359064794798555298267706413777160828287174087
|
11740730440911022509546087443336350231362575265852345340060632948561411513927878234674200004214782226782747810274653248523379480562859415856402581471225989
|
[
[
2.62998,
0.086873,
0.04004
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[
-1.41617,
2.43205,
4.60688
],
[
0.038733,
-4.21691,
3.7699
]
] |
[
[
-0.07029,
0.3323,
4.5934
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[
1.29185,
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4.07109
],
[
0.01905,
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1.98467
],
[
-0.03499,
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6.06924
],
[
0.04714,
-4.02777,
3.63286
],
[
1.26376,
0.72024,
2.4229
]
] |
[
true,
true,
true
] |
Co4Nb2
|
Co2Nb
|
A2B
|
[
"Co",
"Nb"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
27,
27,
27,
27,
41,
41
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_273"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8747671723910339946954388
|
8747671723910339946954388926700751953602459429019533352673581640452431031898897892266976912859613556225106164500398044971473737739060549179211793822603960
| 2025-04-16T21:14:40
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -32.36732
|
[
[
0.002908,
-0.001678,
0.940668
],
[
-0.002908,
0.001678,
-0.940645
],
[
0.000084,
-0.000051,
4.340409
],
[
-0.000084,
0.000051,
-4.340432
]
] |
[
[
-0.02384169104959642,
0.000027712300518921666,
-0.000007177735494765747
],
[
0.000027712300518921666,
-0.02380979693796316,
0.00000411939602308295
],
[
-0.000007177735494765747,
0.00000411939602308295,
-0.03348463540381228
]
] | true
| null | null | null | null | null | 4.340432
| 2.640541
| null |
CO_1299911344404655465564934
|
12999113444046554655649347047003166474894908304853582250133389659092266614807281054049969585690153578873943126994541244655449029786272057392872550372168719
|
9803491817451209542613555240113485441915428352928211738279326961554652898991948004076888775888349838320508140184563140595584454794903634654122050177023228
|
[
[
2.72448,
0,
0
],
[
-1.36224,
2.35947,
0
],
[
1.36224,
-0.78649,
8.89812
]
] |
[
[
1.36224,
0.78649,
2.22453
],
[
0,
1.57298,
4.44906
],
[
0,
0,
0
],
[
2.72448,
0,
6.67359
]
] |
[
true,
true,
true
] |
Co2Nb2
|
CoNb
|
AB
|
[
"Co",
"Nb"
] |
[
0.5,
0.5
] |
[
27,
27,
41,
41
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_44"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_2159177865702067932401621
|
2159177865702067932401621046526986283610848178577328957983017827172540627763507234519562672921985438726894909783348644265224912650911813498160969472494610
| 2025-04-16T19:57:31
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -47.543958
|
[
[
0.009395,
-0.046578,
-0.105577
],
[
-0.579048,
-0.270564,
-0.252842
],
[
0.604979,
0.266607,
0.289562
],
[
-0.230529,
-0.068523,
-0.172957
],
[
0.35607,
0.248667,
0.394541
],
[
-0.160867,
-0.129609,
-0.152726
]
] |
[
[
-0.013101239730685253,
0.0072292279450542835,
-0.0003430957566498027
],
[
0.0072292279450542835,
-0.009874005022056055,
-0.0026762966980874822
],
[
-0.0003430957566498027,
-0.0026762966980874822,
-0.007999180510823241
]
] | true
| null | null | null | null | null | 0.721751
| 0.444127
| null |
CO_2077169207962569766369167
|
2077169207962569766369167792343165452590975533217812429507761064172428775847833145271292221120632300314395492501823223498272054657549491011342141709975158
|
7510355307542650901651645196492028409338241829624093087146337927348199768850898211957700985971925403731515060908420467368736588969735298784685271032827778
|
[
[
0.157407,
-2.15759,
2.24943
],
[
1.5615,
3.98619,
5.84522
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[
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] |
[
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[
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[
1.41881,
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],
[
0.3018,
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4.28318
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] |
[
true,
true,
true
] |
Co4NbV
|
Co4NbV
|
A4BC
|
[
"Co",
"Nb",
"V"
] |
[
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
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[
27,
27,
27,
27,
41,
23
] | 6
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_58"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2166930297006113206710031
|
2166930297006113206710031322765131280793676362857747288479227047636843161147712759200543331564439648359558534896708101433132641168761791692007929723795754
| 2025-04-16T20:48:21
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -49.412332
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[
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| null | null | null | null | null | 0.395423
| 0.255621
| null |
CO_5761283836966239249686713
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[
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[
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[
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[
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2.12796
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] |
[
true,
true,
true
] |
Co3Nb2V
|
Co3Nb2V
|
A3B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.3333333333333333,
0.16666666666666666
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[
27,
27,
27,
41,
41,
23
] | 6
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_238"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8756185720692978748031196
|
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| 2025-04-16T15:44:28
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.65181
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[
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[
0,
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[
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[
0,
-1.8724527377649775e-7,
-0.006582420354339001
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| null | null | null | null | null | 1.793882
| 0.80563
| null |
CO_7146956994520009921727244
|
7146956994520009921727244571583396927982767321243230984465663938153445777345746195897978976961770328754245870735955942572523541400245254716165011089383084
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|
[
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0
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[
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0
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[
0,
0,
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] |
[
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[
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[
0,
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5.5736
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[
0,
0,
7.60613
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_53"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2188279975504509611612533
|
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| 2025-04-16T16:29:35
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.042068
|
[
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[
0.511371,
0,
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[
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[
[
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[
0,
0.024539117279322616,
0
],
[
0.0003376032286190254,
0,
-0.004656103392817652
]
] | true
| null | null | null | null | null | 0.721079
| 0.487639
| null |
CO_8369405370712534801717104
|
8369405370712534801717104247608571337732893167617043254420066982950169968460408920367525924596215190665202777832571332399311865823763969846151295924644421
|
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|
[
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[
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[
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1.81406
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[
[
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[
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[
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[
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1.74952
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[
-3.69476,
1.80938,
1.87674
]
] |
[
true,
true,
true
] |
Co4V4
|
CoV
|
AB
|
[
"Co",
"V"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
27,
23,
23,
23,
23
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_254"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8794168301355071351243818
|
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| 2025-04-16T15:43:19
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.844811
|
[
[
0.000016,
0.337679,
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[
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[
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[
0.000011,
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[
0.000012,
0.348421,
0.073991
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[
-0.000013,
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0.301044
]
] |
[
[
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0
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[
0,
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-0.00034858828468057994
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[
0,
-0.00034858828468057994,
-0.01627342432882416
]
] | true
| null | null | null | null | null | 0.583351
| 0.37845
| null |
CO_4916849028979399527469851
|
4916849028979399527469851043696987420154685908397069793183051212755171229386217954646163290767987365354005197264880620029353888648380860450078000287553643
|
11837100725954901893996905694910059868592329052108419640539511554954297678714039794715378794337356331975904025860229333597920657194931174194180311762017645
|
[
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[
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[
0,
1.5033,
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]
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[
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[
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[
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[
1.30182,
2.54082,
6.33099
],
[
0,
5.17866,
6.4759
]
] |
[
true,
true,
true
] |
Co4Nb4
|
CoNb
|
AB
|
[
"Co",
"Nb"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
27,
41,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_94"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2214073810172983463296179
|
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| 2025-04-16T17:07:03
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.154509
|
[
[
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0.183807,
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[
0.111168,
0.102437,
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[
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0.013905,
0.099381
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[
0.021573,
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0.063643
]
] |
[
[
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[
0.0026460253788269483,
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],
[
0.0009142562567593796,
-0.0005056246542878027,
-0.00872375730524703
]
] | true
| null | null | null | null | null | 0.547179
| 0.236381
| null |
CO_3197851810599136598597371
|
3197851810599136598597371672272760661122297456566815205190362887281215195407497938122297554286876782806688047908061907938468456414971167047913041286223276
|
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|
[
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[
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[
1.08311,
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14.4121
]
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[
[
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[
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[
1.40915,
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10.8312
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[
3.24555,
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12.4016
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[
2.03755,
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[
0.0797,
1.42596,
3.37795
],
[
3.31184,
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9.39057
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_348"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8823736821484593898929448
|
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| 2025-04-16T16:08:30
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.858596
|
[
[
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0.098641,
0.032501
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[
0.034818,
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0.163395
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[
0.149044,
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] |
[
[
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],
[
-0.007239339189838214,
-0.010234015268437001,
0.007817927085807592
]
] | true
| null | null | null | null | null | 0.441758
| 0.28465
| null |
CO_4328240744399693018579909
|
4328240744399693018579909709821906239856186052755134363664200574775133142534509217086393524846456822734950154406478525221000180628697224724883589238872521
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|
[
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[
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[
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]
] |
[
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[
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[
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[
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3.35987
],
[
-3.81281,
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0.43918
]
] |
[
true,
true,
true
] |
Co5NbV2
|
Co5NbV2
|
A5B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.625,
0.125,
0.25
] |
[
27,
27,
27,
27,
27,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_370"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8878792859088389164756811
|
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| 2025-04-17T18:26:41
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.027443
|
[
[
0.00343,
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[
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[
0.023291,
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[
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0.007466280461655329,
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-0.024289082423739734
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] | true
| null | null | null | null | null | 0.423787
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| null |
CO_3030915053906584885338688
|
3030915053906584885338688475511133519502922435165726788840334833675202045441383481129343334768856992219120578553873075853448527550260652721584769152596767
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|
[
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[
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[
1.27041,
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16.6182
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[
[
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[
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[
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3.99603
],
[
3.03559,
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6.45876
]
] |
[
true,
true,
true
] |
Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.125,
0.375
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[
27,
27,
27,
27,
41,
23,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_179"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8892375223270226802371630
|
889237522327022680237163062989490947188729025210152842060633184866226268086500825196223255165290595729949311697941477518526313147976933269294808227019124
| 2025-04-16T16:23:19
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.390836
|
[
[
0.087445,
0.080833,
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[
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[
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0.587348
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[
0.091037,
0.06559,
0.025422
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] |
[
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0.0006162241959984541,
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],
[
-0.0007336269826563182,
-0.00025552738361366055,
0.0010907037197480992
]
] | true
| null | null | null | null | null | 0.627746
| 0.220805
| null |
CO_3967172043527973858952932
|
3967172043527973858952932861511768426064909862717559555074010771349327492227773599857957311953651370556969379319772904176193431882413341281948888096549308
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|
[
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[
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[
0.960089,
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[
[
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2.14948
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[
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[
1.5345,
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[
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[
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[
2.37577,
1.78674,
11.3006
],
[
1.06297,
0.74093,
9.14375
]
] |
[
true,
true,
true
] |
Co4Nb3V
|
Co4Nb3V
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.375,
0.125
] |
[
27,
27,
27,
27,
41,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_310"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_2273303745712176138241157
|
2273303745712176138241157049507403653698323923045256279486431584762956898068933921180146082331154323016316308956693675707508077730383041053606607321937461
| 2025-04-16T18:33:38
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.62728
|
[
[
0.000028,
0.04854,
0.000013
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[
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0.573004,
0.000016
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[
0.000017,
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0.064145
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[
0.000018,
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[
0.000014,
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0.000008
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[
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0.000019
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[
-0.000018,
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0.107175
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[
-0.000018,
-0.096627,
-0.107176
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[
[
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0,
0
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[
0,
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-6.241509125883259e-8
],
[
0,
-6.241509125883259e-8,
-0.0004912067682070124
]
] | true
| null | null | null | null | null | 0.573004
| 0.214389
| null |
CO_3917952092531055171819702
|
3917952092531055171819702534673602397828162453589525580710767028114169345014413930571343648653066756941882183853969620410375462293148064177099990524860701
|
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|
[
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0,
0
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[
0,
4.48121,
4.2525
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[
0,
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4.2525
]
] |
[
[
0,
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4.2525
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[
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4.2525
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[
0,
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6.30661
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[
0,
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2.1984
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[
0,
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4.2525
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[
1.29771,
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4.2525
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[
1.29771,
0.77682,
2.28945
],
[
1.29771,
0.77682,
6.21555
]
] |
[
true,
true,
true
] |
Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.125,
0.375
] |
[
27,
27,
27,
27,
41,
23,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_24"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8948383553513990091395078
|
8948383553513990091395078406125550890906479205312108006330337350317188923390446068284457135359413987717372688671947892955735866495669120413517806850692089
| 2025-04-16T21:13:40
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.513128
|
[
[
0.000007,
0.000024,
-0.862434
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[
-0.276332,
0.276342,
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[
0.276365,
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[
0.00001,
0.000022,
0.862417
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[
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0.984213,
0.000001
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[
0.984146,
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-0.000028
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[
0.000021,
-0.000002,
0.000003
],
[
0.000025,
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0.000076
]
] |
[
[
-0.04878681849755775,
0.008802213074959382,
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],
[
0.008802213074959382,
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1.2483018251766518e-7
],
[
-1.2483018251766518e-7,
1.2483018251766518e-7,
0.006600208655347768
]
] | true
| null | null | null | null | null | 1.391907
| 0.661293
| null |
CO_1258894498938663269997630
|
12588944989386632699976304730473952085203982848377137989363259420641652945135968889872896309360352721956607994886798969946721669118718178724900895461980846
|
4666619211261579313475216291789907494122693226536683895909604181589302415904178172148367420788474197922915408081328170422223337491444089684414036115346246
|
[
[
2.00486,
2.00486,
0
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[
-3.97044,
3.97044,
3.19119
],
[
3.97044,
-3.97044,
3.19119
]
] |
[
[
1.99504,
0.00982,
1.99158
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[
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3.19119
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[
2.08302,
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3.19119
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[
1.99504,
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4.3908
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[
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3.19119
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[
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3.19119
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[
0.00982,
1.99504,
1.59559
],
[
0.00982,
1.99504,
4.78678
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_40"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8962400526755472642636477
|
89624005267554726426364775753736252080094128255898359851000866414633288438806519429537149445217007391823390327235799061219556479373342099746986367630455
| 2025-04-16T18:27:12
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.259887
|
[
[
-0.230596,
0.122225,
0.214027
],
[
-0.460095,
0.220085,
0.339347
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[
0.469824,
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[
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0.121727,
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[
0.392286,
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0.30222
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[
0.092777,
0.004629,
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[
-0.12547,
-0.000975,
1.324206
],
[
0.126891,
-0.057592,
-0.602094
]
] |
[
[
-0.03716625197680578,
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0.00892904054039733
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[
-0.0038810952046567275,
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0.001046451420045587
],
[
0.00892904054039733,
0.001046451420045587,
-0.019105134604146135
]
] | true
| null | null | null | null | null | 1.330137
| 0.667652
| null |
CO_6640410224376285415645923
|
6640410224376285415645923051253360263078839648536292675694017490897544850231552966945616510807108313527593440008249048997043894940031159331254475847093948
|
5245791405998731760879786446762461355075166060404298721908031371062711220246257243984811986344776916160182606805208397703089568552625364924660790959327366
|
[
[
2.58545,
0.214085,
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],
[
-1.10114,
2.34186,
0.177217
],
[
1.30841,
-0.755422,
17.0588
]
] |
[
[
0.13394,
1.6398,
4.54669
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[
2.51914,
0.25034,
6.20977
],
[
0.07942,
1.65246,
8.35722
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[
2.59023,
0.22527,
14.963
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[
-0.76026,
2.13315,
0.24972
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[
2.14252,
0.46122,
10.3312
],
[
0.57265,
1.38461,
12.8859
],
[
1.39573,
0.89686,
2.51025
]
] |
[
true,
true,
true
] |
Co4Nb3V
|
Co4Nb3V
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.375,
0.125
] |
[
27,
27,
27,
27,
41,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_201"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8930508246984923893951557
|
8930508246984923893951557411316767656047403809474104581617772267275944797759002255559029702445443827397901338180957912386986187127769255133056273844883504
| 2025-04-16T19:04:44
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.795524
|
[
[
1.544325,
-1.544311,
0.071458
],
[
-1.544322,
1.544333,
-0.071431
],
[
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0.098936,
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[
0.098939,
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0.781489
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[
-0.000022,
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0.000025
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[
0.000033,
0.000002,
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[
0.000029,
0.000048,
-0.000039
],
[
0.000004,
0.000008,
-0.00001
]
] |
[
[
0.004535579851596846,
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0.001400969138395756
],
[
-0.010989113042486358,
0.00453589192705314,
-0.0014011563836695325
],
[
0.001400969138395756,
-0.0014011563836695325,
0.035484976663566606
]
] | true
| null | null | null | null | null | 2.185177
| 0.744796
| null |
CO_6196435512487183501010502
|
6196435512487183501010502366620997251947209483994885096454484078475868540236502405908356808050693362926671526759774847598308842311946697389761974128426215
|
9835160596438169203564842170683395560430154577088935550182934249177273060940001845268164378787784259023337349042507410247539749760134160201768420535416632
|
[
[
2.37738,
2.37738,
0
],
[
-5.64885,
5.64885,
3.49573
],
[
2.41263,
-2.41263,
2.72231
]
] |
[
[
0.12761,
2.24978,
1.35971
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[
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3.36383,
4.85833
],
[
0.3651,
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2.89888
],
[
-3.60132,
3.60132,
3.31916
],
[
-1.61811,
1.61812,
3.10902
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[
2.395,
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1.36116
],
[
-1.63574,
4.01312,
1.74787
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co4Nb3V
|
Co4Nb3V
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.375,
0.125
] |
[
27,
27,
27,
27,
41,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_344"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_8951792360183167742927473
|
8951792360183167742927473191397742934052593731463238387906244822744100921078607113363055351467616298984751974706789394877691250987401480973829463511219530
| 2025-04-16T16:04:57
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -31.737644
|
[
[
-0.000868,
0,
-0.000867
],
[
0,
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0
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[
0,
0,
0
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[
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0.007283404244266951
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| null | null | null | null | null | 0.001227
| 0.000613
| null |
CO_6181444369655757488561241
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|
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[
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[
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[
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3.67418
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0,
0,
0
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] |
[
true,
true,
true
] |
Co3Nb
|
Co3Nb
|
A3B
|
[
"Co",
"Nb"
] |
[
0.75,
0.25
] |
[
27,
27,
27,
41
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_10"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_8944932593464856522253702
|
8944932593464856522253702090042739550721253683640967966183498657580901676318658499090866485962351052363823437791514272358202738851868323984203020366454377
| 2025-04-16T16:09:56
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.944779
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[
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0
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[
0,
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0
],
[
0,
0,
-0.025709462655516987
]
] | true
| null | null | null | null | null | 1.93827
| 1.239638
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CO_7999684322238237453654395
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0
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[
0,
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15.4976
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[
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[
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[
0,
0,
11.6232
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[
0,
1.9376,
13.7374
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] |
[
true,
true,
true
] |
Co4Nb4
|
CoNb
|
AB
|
[
"Co",
"Nb"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
27,
41,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_47"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2331295569121071134690527
|
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| 2025-04-16T17:56:28
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -55.771856
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[
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[
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[
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0
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[
[
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[
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[
-0.000010298490057707376,
-0.000023343244130803382,
-0.006870965321228585
]
] | true
| null | null | null | null | null | 3.818163
| 1.698898
| null |
CO_2403451804194693352632465
|
240345180419469335263246595452068975703335168942927748952776598317320992604729349334074041672379030399278650285579732395950275715295013053680076614055271
|
9802202729011959969324044353952653134466877874319270565092600303524898908717946307206082751547475306325316501614050670884249374106104427484565384705898365
|
[
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0
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[
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[
0,
0,
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[
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[
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[
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[
-1.87035,
5.61104,
3.7407
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[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co4Nb2V
|
Co4Nb2V
|
A4B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.5714285714285714,
0.2857142857142857,
0.14285714285714285
] |
[
27,
27,
27,
27,
41,
41,
23
] | 7
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_178"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2349291671685871331280340
|
234929167168587133128034094856204792282057250584498590667057982211568514416368994782830048280197785351593172816544023358275577559268903066314819697112390
| 2025-04-17T18:48:22
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -62.444804
|
[
[
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0.147504
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[
0,
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[
0,
0.00001,
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[
0,
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1.915902
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] |
[
[
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0
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[
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1.2483018251766518e-7
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[
0,
1.2483018251766518e-7,
-0.01566450269850299
]
] | true
| null | null | null | null | null | 1.915902
| 0.562273
| null |
CO_7104617233466118121688924
|
7104617233466118121688924618437042726283082802229373307769972983076456750557689420886555257083070862637469036833918608487918508404466844176437954494177862
|
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|
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[
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0
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[
0,
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16.7625
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[
[
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0
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[
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[
0,
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[
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[
1.28311,
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8.38125
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[
0,
1.48161,
10.4766
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[
0,
0,
12.5719
]
] |
[
true,
true,
true
] |
Co4V4
|
CoV
|
AB
|
[
"Co",
"V"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
27,
23,
23,
23,
23
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_87"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2399229100683081495516972
|
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| 2025-04-16T17:28:31
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.174043
|
[
[
0.000676,
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0.26444
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[
0.000161,
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[
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[
0.000121,
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[
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[
0.000899,
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[
-0.000774,
0.010784,
2.85807
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[
-0.00066,
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]
] |
[
[
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[
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],
[
-0.000013918565350719667,
-0.00001504203699337865,
-0.020576570380573114
]
] | true
| null | null | null | null | null | 2.85809
| 1.149635
| null |
CO_1205256834116679581729667
|
12052568341166795817296671430994644271434230954285958965541695065778934572917091729811865829976862433865729331064624814142067091334783197377396254552266327
|
1244311478537786687032349780226126457289427770229714247203341582145067995748742313655352185957299768423224693419327787998750633364274202081899145765157083
|
[
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[
1.32517,
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8.65597
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[
0.000003,
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0.00002
]
] |
[
[
2.65017,
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4.32918
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[
1.32512,
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4.32652
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[
1.32514,
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6.47526
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[
2.65014,
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2.18043
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[
2.65012,
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[
2.65023,
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8.65583
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[
1.32509,
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2.20292
],
[
2.6502,
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6.45279
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_32"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2389689320210540412619820
|
2389689320210540412619820807880851914480641661893052333052500234526088231539460852216279675135862059534806712839124707437593871315572896387615331566116347
| 2025-04-16T17:54:52
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -49.887334
|
[
[
-0.294688,
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-0.002032
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[
0.000032,
0.000015,
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[
0.294618,
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0.001871
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[
0.555562,
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2.274322
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[
-0.555707,
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-2.274317
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[
0.000183,
0.000235,
0.000171
]
] |
[
[
0.008494506675053337,
0.008971857293000889,
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],
[
0.008971857293000889,
-0.0018232696458530173,
-0.005380805017423956
],
[
-0.009309086031072361,
-0.005380805017423956,
0.000623339516401961
]
] | true
| null | null | null | null | null | 2.363216
| 0.901089
| null |
CO_5503282375408057978569180
|
5503282375408057978569180009300740235074874516239509521931869573164404529721306678074874048861040558253772463724623814759334182067498415388787339885403851
|
11728809593192437211062214115510090356095226173972217660695954890745494862012779564614913123634443345254327651771816302582611542300711264497236443474462828
|
[
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0
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[
-4.01069,
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0
],
[
-1.3369,
0.771858,
6.54944
]
] |
[
[
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0
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[
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2.18315
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[
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4.36629
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[
0,
0,
0
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[
-2.6738,
1.54372,
4.36629
],
[
-4.01069,
0.77186,
2.18315
]
] |
[
true,
true,
true
] |
Co3Nb2V
|
Co3Nb2V
|
A3B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.3333333333333333,
0.16666666666666666
] |
[
27,
27,
27,
41,
41,
23
] | 6
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_217"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_9002221904973814825478628
|
9002221904973814825478628201935715713277337041076121392625086888025927089386117369581833133193850335379213296874700804805617599439022126873928195735653106
| 2025-04-16T21:43:16
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.601057
|
[
[
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0.516971,
0
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[
0.043304,
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0
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[
0.969429,
0.511647,
0
],
[
0.039082,
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0
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[
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0.198461,
0
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[
-0.545113,
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0
],
[
-0.256345,
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0
],
[
0.783066,
0.454607,
0
]
] |
[
[
-0.0011063074925628073,
0.02065902071612603,
0
],
[
0.02065902071612603,
-0.03933511398295895,
0
],
[
0,
0,
-0.030994710168223673
]
] | true
| null | null | null | null | null | 1.096164
| 0.680307
| null |
CO_1802094861442773098183214
|
1802094861442773098183214895658694722406982272111986430328315060157919178003795851382243023152724262073266271780579448999568882740726271727078875250269709
|
12521662244883244864676340986535044011555746345226321504192508692125370242859189919733819627816978783783564711827867929744409525829588734748897760651902407
|
[
[
0,
0,
4.0454
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[
2.64594,
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0
],
[
2.55172,
4.47844,
0
]
] |
[
[
3.83543,
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0
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[
2.49949,
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0
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[
3.60095,
1.86177,
0
],
[
2.63871,
3.19524,
2.0227
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[
4.16499,
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2.0227
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[
1.79426,
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2.0227
],
[
2.54166,
-1.86693,
2.0227
],
[
4.88138,
-0.64383,
0
]
] |
[
true,
true,
true
] |
Co5Nb2V
|
Co5Nb2V
|
A5B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.625,
0.25,
0.125
] |
[
27,
27,
27,
27,
27,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_247"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2429527214066436569024901
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| 2025-04-17T17:35:57
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -68.448358
|
[
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| null | null | null | null | null | 0.250862
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CO_4707460794311273253387066
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[
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[
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[
true,
true,
true
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Co4Nb4
|
CoNb
|
AB
|
[
"Co",
"Nb"
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[
0.5,
0.5
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[
27,
27,
27,
27,
41,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_352"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2427268310151706562780992
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| 2025-04-17T18:06:06
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.114434
|
[
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[
0.172926,
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]
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[
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[
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0.02247105564555246
]
] | true
| null | null | null | null | null | 0.60553
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| null |
CO_2348046775645757712712782
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2348046775645757712712782198948280500051996555236456303409238146767297066342140239442970735635428313188302684197088708080205924790682764926834467762125513
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[
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[
1.36676,
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[
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[
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[
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[
1.44464,
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9.23728
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[
true,
true,
true
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Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.125,
0.375
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[
27,
27,
27,
27,
41,
23,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_306"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_2451764785663997571095563
|
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| 2025-04-16T19:02:16
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -62.934796
|
[
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0.359697,
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[
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0.289383
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0.090894,
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[
0.286992,
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-0.193202
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[
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]
] |
[
[
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0.008450379205533343,
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0.0051486208779411
],
[
0.0012497997873668636,
0.0051486208779411,
-0.022994843091396582
]
] | true
| null | null | null | null | null | 1.04368
| 0.591012
| null |
CO_5361405141306838703310951
|
5361405141306838703310951990514471926317322985503171192136518787809182785344136862201121777043880999917388820992907620598414799023896493062605724766615125
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|
[
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[
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[
1.16829,
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3.8662
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[
[
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[
1.43411,
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3.89323
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[
2.76782,
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3.86611
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] |
[
true,
true,
true
] |
Co5NbV2
|
Co5NbV2
|
A5B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.625,
0.125,
0.25
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[
27,
27,
27,
27,
27,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_152"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9058574783404074556889497
|
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| 2025-04-16T20:44:11
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.371334
|
[
[
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-0.381039,
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[
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0.332842,
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[
0.203622,
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[
0.000038,
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0.000012
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[
0.627864,
0.112685,
0.123613
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[
-0.000047,
0,
0.000038
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] |
[
[
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[
0.018145502576041587,
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-0.006652450086731411
],
[
-0.015082045066875563,
-0.006652450086731411,
0.012986770453316553
]
] | true
| null | null | null | null | null | 1.449224
| 0.63404
| null |
CO_7634101550233042531039355
|
7634101550233042531039355281659299542177093706928040057980626306601085367629687769754672746540965017557086598414553693786095062443100558031099137073519796
|
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|
[
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[
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0.194432
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[
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3.57611
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[
[
0.02546,
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1.62406
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[
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[
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[
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[
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[
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2.32951,
2.13915
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co4Nb3V
|
Co4Nb3V
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.375,
0.125
] |
[
27,
27,
27,
27,
41,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_210"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9059176573821004162207547
|
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| 2025-04-16T17:47:42
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -30.997835
|
[
[
-0.000591,
0.132536,
0.000603
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[
-0.000176,
0.000102,
0.715637
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[
0.000161,
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[
0.000607,
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]
] |
[
[
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0.000004681131844412444,
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[
0.000004681131844412444,
0.0034981162046925306,
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],
[
-0.000002122113102800308,
-0.000006491169490918588,
0.006701133857913301
]
] | true
| null | null | null | null | null | 0.715637
| 0.423858
| null |
CO_1715650824348729959106422
|
1715650824348729959106422945977639103824972605638911653531641552079996313192170901261441771036205173566851018070672149266701656149711938450311954542375082
|
3952810261131098706718991253393985667197095956010976819792785143684503882564216501313815948373656717698978116088725509058242423726063451722737851079475515
|
[
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0
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[
1.29902,
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4.24258
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[
0,
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0
]
] |
[
[
1.29902,
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0
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[
1.29902,
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2.12129
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[
2.59804,
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2.12129
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co3Nb
|
Co3Nb
|
A3B
|
[
"Co",
"Nb"
] |
[
0.75,
0.25
] |
[
27,
27,
27,
41
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_115"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2469310515312509230815311
|
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| 2025-04-16T16:06:23
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -47.809001
|
[
[
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0.095969,
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[
0.000041,
0.000069,
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[
0.052818,
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0.080152
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[
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0.238457
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[
0.000157,
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0.000109
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[
0.042125,
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]
] |
[
[
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0.0013124645389907316,
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[
0.0013124645389907316,
0.004894341796152615,
0.0036535921970182825
],
[
-0.0006468700058065408,
0.0036535921970182825,
-0.005331247434964444
]
] | true
| null | null | null | null | null | 0.260872
| 0.132265
| null |
CO_1268109266595576875334658
|
1268109266595576875334658129754957892564841585957242280204023381250108143019934895911512434982724812970310009362833204240966974244122968507197142838060528
|
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|
[
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0.012624
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[
-1.32389,
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0.100268
],
[
0.001,
1.43705,
12.2109
]
] |
[
[
1.16365,
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0.14265
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[
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1.4732,
8.16429
],
[
-0.0063,
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[
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6.17398
],
[
1.24062,
0.77581,
2.06515
],
[
1.242,
2.33817,
10.2675
]
] |
[
true,
true,
true
] |
Co3V3
|
CoV
|
AB
|
[
"Co",
"V"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
23,
23,
23
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_131"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_9072406673928771322574084
|
907240667392877132257408472673251783540983621144492175059911135239288273496749605951714956856941896405318156836572929477520419119246045999077731068202883
| 2025-04-16T21:52:07
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.163359
|
[
[
-0.797701,
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0.000026
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[
0.610527,
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[
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0.000049
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[
0.193268,
0.593352,
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[
1.324278,
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[
-1.417804,
2.347776,
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[
0.82413,
0.475824,
-0.000018
],
[
-0.212387,
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0.000032
]
] |
[
[
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0.026904461992758595,
0
],
[
0.026904461992758595,
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-6.241509125883259e-8
],
[
0,
-6.241509125883259e-8,
-0.009606618771103217
]
] | true
| null | null | null | null | null | 2.742667
| 1.1821
| null |
CO_8751240535650112031007387
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8751240535650112031007387286150914683326847883705774654600973082005306501712133580051901827367230565739306949087603878734352459069103250618378405535887665
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[
true,
true,
true
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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
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[
0.5,
0.25,
0.25
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[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_114"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_9081105632263155069054160
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| 2025-04-16T18:03:25
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -50.549207
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[
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0
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0,
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0
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[
0,
0,
0.00005941916687840862
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| null | null | null | null | null | 0.555295
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CO_1782160944043991086310512
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[
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0,
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[
0,
0,
7.48721
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[
0,
0,
10.9894
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[
true,
true,
true
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Co3Nb2V
|
Co3Nb2V
|
A3B2C
|
[
"Co",
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"V"
] |
[
0.5,
0.3333333333333333,
0.16666666666666666
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[
27,
27,
27,
41,
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23
] | 6
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_313"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_2500358362867553180395367
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| 2025-04-16T16:28:45
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.745377
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[
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[
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| null | null | null | null | null | 0.802
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CO_1175222081575170241975143
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|
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[
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[
3.87065,
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[
[
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[
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[
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[
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3.85869
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[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_339"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2514541328416171062408679
|
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| 2025-04-16T18:16:00
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -61.222307
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[
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[
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[
2.4966036503533035e-7,
1.2483018251766518e-7,
0.004026959272928619
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| null | null | null | null | null | 2.258746
| 1.05281
| null |
CO_1231226949425610431018996
|
12312269494256104310189963741327303832255812359756975329309954123192622961802046685082029399208940872827011067222222755175959320467719406207763012520094397
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0
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[
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[
0,
0,
0
],
[
-1.27817,
5.16567,
2.08725
]
] |
[
true,
true,
true
] |
Co6NbV
|
Co6NbV
|
A6BC
|
[
"Co",
"Nb",
"V"
] |
[
0.75,
0.125,
0.125
] |
[
27,
27,
27,
27,
27,
27,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_167"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9976811060039601645153290
|
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| 2025-04-16T18:07:18
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -62.874282
|
[
[
-0.022983,
0.026771,
0.161229
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[
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0.106276,
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[
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[
0.123726,
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0.616442
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[
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0.086288,
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[
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[
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[
-0.00010142452329560295,
-0.001831570852990442,
-0.01608511799849626
]
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| null | null | null | null | null | 0.63463
| 0.260355
| null |
CO_7918156531158863618070403
|
7918156531158863618070403042610476260673586563995624577337408619668098804279580582006254814183003627631442649143593365950769312839266454973160096783877946
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|
[
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[
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[
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0.102933,
5.02133
]
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[
[
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[
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[
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[
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3.12014
],
[
-1.64742,
5.50828,
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] |
[
true,
true,
true
] |
Co5NbV2
|
Co5NbV2
|
A5B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.625,
0.125,
0.25
] |
[
27,
27,
27,
27,
27,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_155"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2553015389220090896041122
|
2553015389220090896041122748987918545377032520414837120654066922665446697049021574015868475808198216221235864275863595497029017754554194519608322499339885
| 2025-04-16T15:44:43
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.263253
|
[
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0.000001,
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0.00001
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[
0,
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0.00001
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[
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0.000019,
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[
0.000001,
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[
0.000003,
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] |
[
[
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0
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[
0,
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-1.2483018251766518e-7
],
[
0,
-1.2483018251766518e-7,
0.015607892210731228
]
] | true
| null | null | null | null | null | 0.458048
| 0.332359
| null |
CO_1050360038810634316496314
|
1050360038810634316496314648041903151550394777153692325597982423397064791243888929872338109073874408303236814658321385142646442033916505063712228914333894
|
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|
[
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[
2.7773,
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0
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[
2.7773,
4.60604,
0
]
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[
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0
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2.7773,
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[
1.38865,
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[
2.7773,
3.26906,
2.2615
],
[
2.7773,
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2.2615
]
] |
[
true,
true,
true
] |
Co4Nb4
|
CoNb
|
AB
|
[
"Co",
"Nb"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
27,
41,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_49"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9954467977324643174175205
|
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| 2025-04-16T18:41:17
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -48.425513
|
[
[
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0.048178,
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[
-0.004693,
0.050217,
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[
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[
0.011401,
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[
-0.000141,
0.530085,
0.000042
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[
0.014971,
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0.000021
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] |
[
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0
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[
0.0006821969474590401,
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6.241509125883259e-8
],
[
0,
6.241509125883259e-8,
-0.0029957371351501875
]
] | true
| null | null | null | null | null | 0.645077
| 0.222616
| null |
CO_1865609680106804848194944
|
1865609680106804848194944899727110026220372106256234677889221935424779520760131608323137822433282133364440188084877643621189443839729609680221051190500807
|
1206507632904019344735765587181272947687890393840744958192429151122661082669986400863263794328154079670094436614349387233563360584543472047026175563292258
|
[
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0
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[
1.29541,
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0
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[
0,
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4.24579
]
] |
[
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1.33076,
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0
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[
2.64032,
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0
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[
1.29627,
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2.12289
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[
1.30059,
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0
],
[
1.3202,
0.79394,
2.12289
],
[
2.63982,
3.15883,
2.12289
]
] |
[
true,
true,
true
] |
Co3NbV2
|
Co3NbV2
|
A3B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.16666666666666666,
0.3333333333333333
] |
[
27,
27,
27,
41,
23,
23
] | 6
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_251"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_9992785755403098616822962
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| 2025-04-16T16:28:49
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.941346
|
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[
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| null | null | null | null | null | 0.651443
| 0.48253
| null |
CO_1224761871810269865103806
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[
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[
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[
true,
true,
true
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Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
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"V"
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[
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[
27,
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27,
41,
23,
23,
23
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| 3
| 3
|
[
1,
1,
1
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[
"CoNbV_CMS2019_307"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_2586232012882507683113851
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| 2025-04-16T16:29:31
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -30.573881
|
[
[
0.000598,
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0.000026,
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[
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[
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0.00010960090025051001
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[
0.0002427322899055999,
0.00010960090025051001,
-0.005330248793504302
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| null | null | null | null | null | 0.00087
| 0.000447
| null |
CO_1348330216912456156590487
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[
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[
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[
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[
true,
true,
true
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Co3V
|
Co3V
|
A3B
|
[
"Co",
"V"
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[
0.75,
0.25
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[
27,
27,
27,
23
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_75"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_2607124486935518618991248
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| 2025-04-16T21:43:16
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -49.311282
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[
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[
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[
0,
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[
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0.00683008343645405
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[
0,
0.00683008343645405,
-0.003835906678585333
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] | true
| null | null | null | null | null | 2.959576
| 1.505867
| null |
CO_2026686700610578708740728
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|
[
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0
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[
0,
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6.54943
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[
0,
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0
]
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[
[
0,
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2.18315
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[
0,
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4.36629
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[
1.3369,
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4.36629
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[
1.3369,
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0
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[
1.3369,
-3.85929,
2.18315
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[
0,
0,
0
]
] |
[
true,
true,
true
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Co3Nb2V
|
Co3Nb2V
|
A3B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.3333333333333333,
0.16666666666666666
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[
27,
27,
27,
41,
41,
23
] | 6
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_293"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|