property_id
string | property_hash
string | last_modified
timestamp[us] | dataset_id
string | multiplicity
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
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float64 | atomization_energy
float64 | max_force_norm
float64 | mean_force_norm
float64 | energy_above_hull
float64 | configuration_id
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string | structure_hash
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list | positions
list | pbc
list | chemical_formula_hill
string | chemical_formula_reduced
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list | atomic_numbers
list | nsites
int32 | nelements
int32 | nperiodic_dimensions
int32 | dimension_types
list | names
list | labels
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string | hash
string | configuration_metadata
string | property_metadata
string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_1184152543566360771674405
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| 2025-04-16T16:47:36
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -46.697951
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CO_2209421434283295665632863
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[
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true
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Co4NbV
|
Co4NbV
|
A4BC
|
[
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[
0.6666666666666666,
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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_6385936326536888317236626
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| 2025-04-16T17:47:40
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -50.746718
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CO_7571598866551120959072107
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[
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[
true,
true,
true
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Co3Nb3
|
CoNb
|
AB
|
[
"Co",
"Nb"
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[
0.5,
0.5
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[
27,
27,
27,
41,
41,
41
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_233"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_6385667068144122906291873
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| 2025-04-16T21:43:16
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.266253
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[
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3.120754562941629e-7,
-0.002829151256580363
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] | true
| null | null | null | null | null | 0.420048
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CO_1188543119696969327798657
|
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[
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[
true,
true,
true
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Co4V4
|
CoV
|
AB
|
[
"Co",
"V"
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[
0.5,
0.5
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[
27,
27,
27,
27,
23,
23,
23,
23
] | 8
| 2
| 3
|
[
1,
1,
1
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[
"CoNbV_CMS2019_253"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6418198428503157820839270
|
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| 2025-04-16T19:56:50
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -68.395831
|
[
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0.18525,
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[
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-0.02671640532279573
]
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| null | null | null | null | null | 0.983532
| 0.583544
| null |
CO_3265707902515294268403430
|
3265707902515294268403430741467508665069782028841955043176121909095125171135402849118674940212528649573502511454069359779626262746815045118207565751827360
|
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[
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[
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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_9"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1189763360752831393749672
|
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| 2025-04-16T18:48:00
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.182693
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[
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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,
-0.003800080416202763
]
] | true
| null | null | null | null | null | 0.893616
| 0.383851
| null |
CO_1219046664194428622993958
|
1219046664194428622993958646716327226975749677796711919633454134215711799555017323620789360598363598628153069942552488932981337785227592539594959183789646
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|
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0
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[
0,
9.15704,
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[
0,
0,
4.24781
]
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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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[
1.34231,
2.62785,
0
],
[
1.34231,
0.80916,
2.1239
]
] |
[
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_79"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1190211573267880473831046
|
11902115732678804738310466064319810598419804135104768470485226307226953099107764472872602181162082456069748959355884799725144477848699427109680174007236971
| 2025-04-16T21:29:37
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -45.344391
|
[
[
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0.000019,
0
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0.000058,
0.00001,
0
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[
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[
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0
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[
0.000001,
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0
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[
-0.000024,
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0
]
] |
[
[
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0
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[
-2.4966036503533035e-7,
-0.0036660752152700487,
0
],
[
0,
0,
0.017326366918360665
]
] | true
| null | null | null | null | null | 1.238502
| 0.619257
| null |
CO_7230883771371131474455723
|
7230883771371131474455723727708517191465252605017788138537186388367661910828799481325239711670030205830059698281334076616028744185661441995864406629194469
|
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|
[
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4.16908
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[
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0
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[
0,
4.42198,
0
]
] |
[
[
1.27652,
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0
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[
2.55303,
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0
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[
1.27652,
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[
2.55303,
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2.08454
],
[
0,
2.94799,
2.08454
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co5Nb
|
Co5Nb
|
A5B
|
[
"Co",
"Nb"
] |
[
0.8333333333333334,
0.16666666666666666
] |
[
27,
27,
27,
27,
27,
41
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_56"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1190420679160497865887367
|
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| 2025-04-16T16:29:44
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -44.504452
|
[
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0.000059,
0
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[
0.000034,
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0
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[
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[
0.000011,
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0
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[
0.000004,
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0
]
] |
[
[
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0
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[
-1.2483018251766518e-7,
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0
],
[
0,
0,
0.01943150311633857
]
] | true
| null | null | null | null | null | 0.599291
| 0.299661
| null |
CO_9351459792384889343457912
|
935145979238488934345791263354460051218192446176625727402724966581170262229115362018614579846428593444604483576818808931927424197137598482025605546694713
|
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|
[
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0,
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4.07444
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[
3.74261,
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0
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[
0,
4.32159,
0
]
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[
[
1.24754,
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0
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[
2.49507,
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0
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[
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[
0,
2.88106,
2.03722
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[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co5V
|
Co5V
|
A5B
|
[
"Co",
"V"
] |
[
0.8333333333333334,
0.16666666666666666
] |
[
27,
27,
27,
27,
27,
23
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_154"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1194866801558628509910916
|
11948668015586285099109166963055967412518282173037745085869986165234071463435470251150394045899632382937296215072281538178576689128187027191453531133920115
| 2025-04-16T18:27:49
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.250613
|
[
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[
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[
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0.00125,
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[
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[
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0.008652229610664407,
0.0032812237625680874
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| null | null | null | null | null | 0.865886
| 0.454515
| null |
CO_8509374390743032025637739
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8509374390743032025637739768009918274507729316499079802226715208696325742320718607197681493559210607636327103467614039537332837075475516316666824377319464
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|
[
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[
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[
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4.40049
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[
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[
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[
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[
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[
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2.54656
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[
-1.44717,
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] |
[
true,
true,
true
] |
Co5Nb3
|
Co5Nb3
|
A5B3
|
[
"Co",
"Nb"
] |
[
0.625,
0.375
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[
27,
27,
27,
27,
27,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_11"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1195805293266188615146761
|
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| 2025-04-16T21:37:17
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -62.588482
|
[
[
0.000009,
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0.000006,
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[
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0.00066,
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[
-0.000024,
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] |
[
[
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[
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0.0000035576602017534568
],
[
1.2483018251766518e-7,
0.0000035576602017534568,
-0.032173169506281685
]
] | true
| null | null | null | null | null | 2.79228
| 1.080619
| null |
CO_1236591239805865194990169
|
12365912398058651949901693248950363745549853877853207321313571546552031568183669569633992661681489523859098089320386653316717032210419452687703369345871061
|
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|
[
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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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[
0,
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[
0,
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[
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0
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[
0,
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10.6455
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[
1.3038,
0.75275,
12.7746
],
[
1.3038,
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14.9037
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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_289"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6510493069478623426311042
|
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| 2025-04-16T18:11:21
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.739146
|
[
[
0.009864,
0.125885,
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[
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0.082749
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[
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[
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[
0.030823,
0.031462,
-0.068238
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[
0.122828,
0.066145,
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] |
[
[
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[
0.00019167674525587486,
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-0.0038674262996710434
],
[
-0.0020182543909456102,
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-0.005407144185935184
]
] | true
| null | null | null | null | null | 0.688693
| 0.327847
| null |
CO_1252762505013319664531083
|
12527625050133196645310836657711956913346330725186486648928096888720610254910697170385020083048142200391322683210145708937261992340813155305451253288061514
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|
[
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[
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0.04624
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[
1.04381,
0.612425,
13.7254
]
] |
[
[
0.8049,
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13.8141
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[
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3.79309
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[
1.43204,
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[
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[
0.75877,
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1.92555
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[
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[
1.01918,
0.6554,
10.1578
],
[
2.21799,
1.62782,
12.3444
]
] |
[
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_147"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1201643998557509290184934
|
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| 2025-04-16T15:43:53
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.610383
|
[
[
0,
0.000041,
1.038301
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[
0,
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0.572983
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[
0,
0.000007,
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[
0,
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[
0,
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[
0,
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[
0,
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[
0,
0.000035,
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]
] |
[
[
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0,
0
],
[
0,
0.0008361749775945801,
0
],
[
0,
0,
-0.0016382713153618375
]
] | true
| null | null | null | null | null | 1.038301
| 0.466214
| null |
CO_2331852706192413218952031
|
2331852706192413218952031820767844592991604108014174830420014482749193676060313283784339160962864226024775758985112675221307762448171206415654674295889222
|
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|
[
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1.90419,
0
],
[
-1.90419,
1.90419,
0
],
[
0,
0,
15.5084
]
] |
[
[
0,
3.80837,
8.18911
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[
0,
1.90419,
9.76876
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[
0,
3.80837,
11.5861
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[
0,
1.90419,
13.4491
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[
0,
1.90419,
1.58093
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[
0,
0,
3.95317
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[
0,
1.90419,
6.32845
],
[
0,
3.80837,
14.932
]
] |
[
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_31"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6551331290644197520051688
|
6551331290644197520051688551290303208689417124780125313191744795830022529276873405396687809751432253108899716922140923084151036887955121794074028157921527
| 2025-04-16T21:56:50
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -53.288449
|
[
[
0,
0.001734,
2.454405
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[
0,
0.000485,
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[
0,
0.000114,
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[
0,
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0.049177
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[
0,
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],
[
0,
-0.000874,
-2.964418
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[
0,
0.001083,
2.963657
]
] |
[
[
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0,
0
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[
0,
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-0.00016945697276773045
],
[
0,
-0.00016945697276773045,
-0.03932700002109531
]
] | true
| null | null | null | null | null | 2.964418
| 1.562094
| null |
CO_1337320428057329587625594
|
13373204280573295876255942317380096408880330537300471023380908575283949130382284813940127914023558941411261024620461426190809207223483852240453756253454583
|
2909977759794646589900205301032821693637168053087823956378695863759947387202995316371501284305833069617601186117707599004627642910061612974996997951001649
|
[
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[
-1.85693,
1.85676,
-0.001191
],
[
0,
1.85727,
13.0009
]
] |
[
[
0,
3.71366,
3.73968
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[
0,
1.85697,
5.56979
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[
0,
3.7138,
7.42736
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[
0,
1.85712,
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[
0,
3.71395,
11.115
],
[
0,
1.85726,
12.9232
],
[
0,
1.85683,
1.93395
]
] |
[
true,
true,
true
] |
Co5Nb2
|
Co5Nb2
|
A5B2
|
[
"Co",
"Nb"
] |
[
0.7142857142857143,
0.2857142857142857
] |
[
27,
27,
27,
27,
27,
41,
41
] | 7
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_323"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1208061069711478155561404
|
12080610697114781555614043134026035500596000357096211219089559581182274228809388089682635690259871969803797191683360932694723299997530049585789077700532819
| 2025-04-16T16:05:15
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -68.056427
|
[
[
0.310798,
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[
0.00004,
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0.000022
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[
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[
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[
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[
0.903883,
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[
-0.903906,
0.903866,
0.842175
],
[
0.000212,
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0.000236
]
] |
[
[
-0.001422252684515018,
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],
[
-0.019209430221639644,
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0.0042080878677617515
],
[
-0.0042080878677617515,
0.0042080878677617515,
0.020065890103893345
]
] | true
| null | null | null | null | null | 1.530841
| 0.675159
| null |
CO_8646123681625661855515640
|
8646123681625661855515640688401181374884916714291328212182401996073681464599828999230800687036657052611190206893089567072570467478236993889010119636450427
|
13198160132444007138849312861818244382619668491511876235172597475627926716075730133321707385203866354531809025614857652046881935554861616114810103606471134
|
[
[
2.16575,
2.16576,
0
],
[
-6.14428,
6.14428,
3.90063
],
[
2.15599,
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3.03893
]
] |
[
[
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0.14477
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[
0.0858,
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1.73489
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[
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1.78872,
3.32501
],
[
0.08093,
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3.25436
],
[
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4.07409,
5.20468
],
[
1.87645,
0.28931,
1.6923
],
[
-1.70484,
3.8706,
1.77749
],
[
-4.06922,
4.06922,
3.6852
]
] |
[
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_23"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6616436053276635511475375
|
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| 2025-04-16T17:44:01
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.230586
|
[
[
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[
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0.00252724946016139
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0.0029077318564752334,
0.00252724946016139,
-0.014586968563010503
]
] | true
| null | null | null | null | null | 0.547579
| 0.2217
| null |
CO_5805255018477767939829448
|
5805255018477767939829448892826113149588067433193878162001734136166577681842124096026193778968152724678948866316611021679989395895549541580750770514815932
|
4690635080995837708428016459705337344224059423342705496806672954589453445030579341545161932329034334618768848314647882183934583511665700637971939731967604
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[
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[
1.25968,
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16.5209
]
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[
[
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[
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[
1.03684,
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2.31604
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[
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[
2.82904,
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6.51919
],
[
2.39869,
0.08951,
14.7547
]
] |
[
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_330"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6617451602197028782347718
|
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| 2025-04-16T22:03:29
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -59.999667
|
[
[
0.000993,
0.363276,
1.408729
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[
0.00121,
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0.854022
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[
0.000105,
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[
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[
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[
0.000325,
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[
-0.001236,
0.004071,
-0.06647
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[
-0.001515,
0.018854,
-0.06832
]
] |
[
[
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0.000049932073007066066,
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[
0.000049932073007066066,
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],
[
-0.00005448837466896084,
-0.000027025734515074505,
-0.002369963430189132
]
] | true
| null | null | null | null | null | 1.454815
| 0.598951
| null |
CO_1356196726034210336151822
|
1356196726034210336151822999089487737753233072594983530599190360332724567480774628806886994949667571256422068943777829281970721893156290900309555523792520
|
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|
[
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0,
0
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[
1.27817,
-0.737952,
8.34898
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[
0,
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0
]
] |
[
[
1.27817,
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2.08724
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[
2.55634,
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2.08724
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[
2.55634,
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4.17449
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[
1.27817,
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[
1.27817,
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[
2.55634,
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6.26173
],
[
0,
0,
0
],
[
1.27817,
-2.21386,
0
]
] |
[
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_83"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6634101402071766402252422
|
6634101402071766402252422526421438339759618270374516845697285976270847415608300987932497871011499171057965930999427891963013187133172376463540922533700311
| 2025-04-16T18:45:21
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -22.914649
|
[
[
-0.000162,
-0.000096,
0.40565
],
[
0.000355,
0.000208,
-0.298685
],
[
-0.000193,
-0.000113,
-0.106965
]
] |
[
[
0.00039583650876351623,
-0.000007614641133577575,
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],
[
-0.000007614641133577575,
0.0004046370366310116,
-7.48981095105991e-7
],
[
-0.0000013107169164354842,
-7.48981095105991e-7,
0.0067793399672606185
]
] | true
| null | null | null | null | null | 0.40565
| 0.270434
| null |
CO_1236313725923259286010200
|
12363137259232592860102006682101999718471530332881354280994168603301846793823266030360333491789262525866402742272468505403737468691985723698793532599153388
|
13303668125643315281518248841588324241015718823228567050034714560600872519073120712565086051034149719385117835647325854447163794294202494509511959680306076
|
[
[
2.53115,
0,
0
],
[
-1.26557,
2.19204,
0
],
[
1.26557,
0.730679,
6.20002
]
] |
[
[
1.26557,
0.73068,
2.06667
],
[
2.53115,
1.46136,
4.13335
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co2V
|
Co2V
|
A2B
|
[
"Co",
"V"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
27,
27,
23
] | 3
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_297"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6669738116282048688425717
|
6669738116282048688425717344838892945727120814016103499596397868562151694955716994545108289025670233829749094249885777966286615093929388294094554946824388
| 2025-04-16T15:45:01
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.381288
|
[
[
0,
0.016074,
0.740665
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[
0,
0.017624,
0.007294
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[
0,
0.022211,
0.042552
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[
0,
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[
0,
0.351886,
0.114016
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[
0,
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1.557178
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[
0,
-0.384922,
-1.622889
],
[
0,
0.400535,
-0.081212
]
] |
[
[
-0.008702661004401544,
0,
0
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[
0,
0.014888433453790666,
0.003682178308814828
],
[
0,
0.003682178308814828,
-0.01864507296647728
]
] | true
| null | null | null | null | null | 1.667913
| 0.701791
| null |
CO_1137066475916411744496074
|
11370664759164117444960748650215920576769446284820228017647126004210747250394787016895393843280870255154514819855895742633601005983695814015478106725280968
|
7358372852679454167815050831996020303192081387265976974032751315615842987512199258967459189476593948338244966065524936912923206785027418498784936858395099
|
[
[
2.69382,
0,
0
],
[
0,
4.64976,
-0.003743
],
[
0,
1.55483,
8.79218
]
] |
[
[
0,
3.10767,
2.22855
],
[
0,
1.55097,
4.39577
],
[
1.34691,
3.87764,
4.39129
],
[
0,
4.65346,
6.55955
],
[
1.34691,
3.93186,
8.78865
],
[
1.34691,
0.75249,
2.27968
],
[
1.34691,
2.31731,
6.51084
],
[
0,
4.62697,
-0.00055
]
] |
[
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_138"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6693560537863783647927570
|
6693560537863783647927570848257227842171371411583702430651777106485775763425983032509553100609793534820833348215307614860321201366656580066919246905442621
| 2025-04-16T18:56:45
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.569066
|
[
[
-0.000003,
0.000001,
-0.798932
],
[
0.000006,
0.000006,
0.857261
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[
-0.000003,
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0.210272
],
[
0.000004,
0.000002,
-0.242439
],
[
0.000004,
0,
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[
0.000007,
0.000005,
-0.316272
],
[
-0.000019,
-0.000013,
0.255801
],
[
0.000004,
0.000001,
1.475742
]
] |
[
[
0.011197891522747153,
-1.8724527377649775e-7,
0
],
[
-1.8724527377649775e-7,
0.011198266013294706,
-6.241509125883259e-8
],
[
0,
-6.241509125883259e-8,
0.0018395599846715725
]
] | true
| null | null | null | null | null | 1.475742
| 0.699769
| null |
CO_5823855943278700899309152
|
5823855943278700899309152981533447484002923105057748987832168855045071675549096211092447944658158685533505028429105575391885627845830589435345217027885402
|
6817406695892216425581522486549936865528548930571654308898043356683671047000450020051335071395304349340804750465511743234232053301073036262632907548759683
|
[
[
2.78609,
0,
0
],
[
-1.39304,
2.41282,
-0.000001
],
[
0,
0,
18.2704
]
] |
[
[
0,
0,
18.1515
],
[
1.39304,
0.80427,
11.5397
],
[
0,
1.60855,
13.7177
],
[
1.39304,
0.80427,
15.9723
],
[
1.39304,
0.80427,
2.03528
],
[
0,
1.60855,
4.4918
],
[
2.78608,
0,
6.92486
],
[
0,
1.60855,
9.38371
]
] |
[
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_359"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6713197252355531173811856
|
6713197252355531173811856142671482316975736902005375911278176439778965954846271650823901921215625953052558974867960306406008166122820450465080987269337212
| 2025-04-16T16:04:42
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -61.171398
|
[
[
-0.008549,
-0.374825,
0.201805
],
[
-0.007246,
0.018019,
0.246228
],
[
-0.005204,
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0.054683
],
[
-0.020586,
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0.121604
],
[
0.013173,
0.115684,
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],
[
0.016708,
0.36862,
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],
[
0.01233,
0.693361,
-0.45337
],
[
-0.000627,
-0.739365,
0.389563
]
] |
[
[
-0.017626645922406908,
-0.000021221131028003076,
0.0017910634587634596
],
[
-0.000021221131028003076,
-0.018358275622142945,
-0.002117244725682119
],
[
0.0017910634587634596,
-0.002117244725682119,
-0.018654747305622398
]
] | true
| null | null | null | null | null | 0.835715
| 0.415392
| null |
CO_2101468796107021333990129
|
2101468796107021333990129120427676327428018460207883572892497405670343434539476792030328448159973821433831919787636315847000153508010079961747113251413717
|
4885104269187939784674881202132335243760106714591043900305933533861968171325545705322309247129966963306806307060248591371469358286251813239202724611754939
|
[
[
2.55654,
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],
[
-1.19348,
1.94944,
4.17256
],
[
1.2836,
-6.72876,
4.29796
]
] |
[
[
0.06727,
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4.30539
],
[
1.32234,
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4.15039
],
[
2.57707,
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3.93322
],
[
1.32629,
0.60967,
2.38681
],
[
2.57695,
-1.63994,
2.21161
],
[
0.08051,
-1.80524,
6.21732
],
[
0.00234,
0.03339,
0.27264
],
[
1.33703,
-3.93065,
6.0288
]
] |
[
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_231"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1221794944610556348821694
|
12217949446105563488216948810621909551015343395964370190593781533394486346693780361500965389561212120852747592710090626312171857248168697443224841275573391
| 2025-04-16T20:34:49
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.793749
|
[
[
-0.002425,
-0.002344,
-1.020133
],
[
0.002346,
0.002282,
1.019805
],
[
0.000385,
0.00065,
0.290895
],
[
-0.00037,
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-0.290906
],
[
0.011393,
0.013927,
-1.831199
],
[
0.008445,
0.009959,
-1.410645
],
[
-0.00846,
-0.009953,
1.410638
],
[
-0.011315,
-0.013889,
1.831545
]
] |
[
[
-0.03224245025757899,
-0.0002607702512794025,
0.0005679773304553765
],
[
-0.0002607702512794025,
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0.0006900612489576531
],
[
0.0005679773304553765,
0.0006900612489576531,
-0.040595149845292264
]
] | true
| null | null | null | null | null | 1.831633
| 1.138259
| null |
CO_4265622402962998454623419
|
4265622402962998454623419551926762415634014161344448221572987641123898595453232877471051656467998048849398304013428347041603380571579693178097785480000128
|
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|
[
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[
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[
1.37649,
0.794718,
17.9824
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[
[
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[
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[
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[
1.37581,
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[
true,
true,
true
] |
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_118"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1223507789615205159575143
|
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| 2025-04-17T17:35:57
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -46.209716
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[
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0.000018,
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[
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0.0013272569156190749,
0.012108902194761073
]
] | true
| null | null | null | null | null | 1.238152
| 0.671034
| null |
CO_4536179783926011456953476
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4536179783926011456953476717552820034625832454973422806792326708490461043187810358555325476990679617500235129680626321278250812417621622168193030551500894
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0
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[
0,
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[
[
0,
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[
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0,
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[
0,
0,
0
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[
0,
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6.20002
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] |
[
true,
true,
true
] |
Co4V2
|
Co2V
|
A2B
|
[
"Co",
"V"
] |
[
0.6666666666666666,
0.3333333333333333
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[
27,
27,
27,
27,
23,
23
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_38"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1222637137094430658603959
|
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| 2025-04-16T16:45:28
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.882559
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[
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[
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1.210303
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[
-0.000027,
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0.00002
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] |
[
[
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0
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[
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1.2483018251766518e-7
],
[
0,
1.2483018251766518e-7,
-0.007604092983154832
]
] | true
| null | null | null | null | null | 1.211429
| 0.625961
| null |
CO_4008038827099411981470439
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4008038827099411981470439387693033199154278177847764560569211987403089281221404538052198852133272921245884850631281325438459448024977833787672597653843311
|
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|
[
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0
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[
0,
4.40848,
0
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[
0,
0,
8.6853
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[
[
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[
0,
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[
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0,
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[
0,
2.89633,
6.08772
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[
0,
0.1761,
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_332"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6745241366636590415908504
|
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| 2025-04-16T21:27:46
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -46.606308
|
[
[
0.000021,
0.165142,
0.083017
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[
0.000019,
0.028636,
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[
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[
0.000025,
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[
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[
-0.000019,
0.01106,
0.048552
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] |
[
[
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6.241509125883259e-8,
0
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[
6.241509125883259e-8,
0.0023530489404579883,
0.0024486064451752607
],
[
0,
0.0024486064451752607,
-0.011274162764265447
]
] | true
| null | null | null | null | null | 0.417424
| 0.185622
| null |
CO_5815049568895122047006753
|
5815049568895122047006753100368508718215439804362684967464284126331111872177423057697575580477918979773155256492989798893528931413720129199168519743419282
|
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|
[
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0,
0
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[
0,
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6.08701
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[
0,
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0.251421
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[
[
1.30811,
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0.17417
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[
1.30811,
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2.15135
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[
0,
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[
1.30811,
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4.29922
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[
0,
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6.2194
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[
0,
-1.66127,
2.20797
]
] |
[
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_316"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6752105773678562761565224
|
6752105773678562761565224587704709228556248958048336158469891072524846442492282659686425699603784492265322771079148384034277177538649793315140603783428521
| 2025-04-16T21:38:17
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.343984
|
[
[
-0.000034,
0.309839,
0.000003
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[
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[
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[
0.000031,
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0.000001
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[
0.000032,
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[
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0.598702,
0
],
[
-0.00003,
-0.66219,
0.000002
],
[
0.000067,
0.430539,
0.000003
]
] |
[
[
-0.006068494492913774,
6.241509125883259e-8,
0
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[
6.241509125883259e-8,
-0.0010433306654826454,
0
],
[
0,
0,
-0.006666618312447166
]
] | true
| null | null | null | null | null | 0.66219
| 0.417027
| null |
CO_7339349021811787561433615
|
7339349021811787561433615945281152053615165278525636829395424962080218241440107434768090655238435763240030519737741273202521514036861831491857802716340516
|
11842421327891364876804102746107661783390331686329562513151228457791294884491238557067092866994410242929821733581688223651775346960155123956062181482557529
|
[
[
3.59199,
0,
0
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[
0,
7.45512,
0
],
[
0,
0,
3.59812
]
] |
[
[
0,
3.74287,
0
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[
0,
5.46645,
1.79906
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[
1.79599,
2.00481,
0
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[
1.79599,
3.74445,
1.79906
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[
1.79599,
5.43172,
0
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[
0,
7.37181,
0
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[
0,
2.18202,
1.79906
],
[
1.79599,
7.33148,
1.79906
]
] |
[
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_207"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6757834680154152240193999
|
6757834680154152240193999264168316950941567205306750995348660050833250659289858700964186851269814391824454777870995516546434209346804364245240404292751444
| 2025-04-16T21:51:00
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -60.159416
|
[
[
0.000017,
0.687803,
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[
0,
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0
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[
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[
0.000017,
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[
0,
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[
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0.000017
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[
0,
0.000031,
0
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[
0,
0.000034,
0
]
] |
[
[
0.00023112308293145705,
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0.000020409734841638254
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[
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0.002813235408309361,
0.0000084260373199424
],
[
0.000020409734841638254,
0.0000084260373199424,
0.00023112308293145705
]
] | true
| null | null | null | null | null | 0.687804
| 0.343918
| null |
CO_2307443651818626590046005
|
2307443651818626590046005421946726357739431572397688757764124070094277544646398087627724449257138365381117293067652231650142763471188123193772678453777039
|
8746905484160074018190575201079969752624518509878556023402579495467481256208610923778364208333889642661130835787768834019025593974665366879888256853864467
|
[
[
0,
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3.55426
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[
-1.77713,
7.10851,
1.77713
],
[
-3.55426,
0,
0
]
] |
[
[
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1.77713
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[
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3.55426
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[
-3.55426,
5.33139,
1.77713
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[
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3.55426
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[
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3.55426,
1.77713
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[
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5.33139,
3.55426
],
[
0,
0,
0
],
[
-1.77713,
0,
1.77713
]
] |
[
true,
true,
true
] |
Co6V2
|
Co3V
|
A3B
|
[
"Co",
"V"
] |
[
0.75,
0.25
] |
[
27,
27,
27,
27,
27,
27,
23,
23
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_299"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1226516556775472030926828
|
122651655677547203092682870592717380231066964159750709958993905699760602859994087133004694696009434336263416649242794999973519926847254502614717803418528
| 2025-04-16T17:48:04
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.979848
|
[
[
-0.313207,
-0.601437,
0.180819
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[
0.313178,
0.601429,
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[
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0.255718
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[
0.387194,
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[
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0.000018
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[
0.000057,
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0.000043
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[
-0.00004,
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0.000012
],
[
0.000025,
0.000016,
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]
] |
[
[
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[
-0.04353458856812698,
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0.024055587567340442
],
[
-0.0006257112898697966,
0.024055587567340442,
-0.004709780371300248
]
] | true
| null | null | null | null | null | 0.701798
| 0.298154
| null |
CO_3272821828536986189895899
|
3272821828536986189895899300212026323259109266706202014154395120944634847242844961867218550530765015064280318757727545503307933545996549676262544607490965
|
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|
[
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[
-3.4636,
0.342217,
4.34195
],
[
-1.18525,
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4.84255
]
] |
[
[
-0.1167,
2.06819,
1.98734
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[
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9.00549
],
[
-0.69249,
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4.45952
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[
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6.53331
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[
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8.82185
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[
0.57331,
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4.2296
],
[
-2.32442,
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4.59225
],
[
-1.18525,
-5.41464,
4.84255
]
] |
[
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_192"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_6781926417813884405754751
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| 2025-04-16T18:31:06
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.095047
|
[
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0.0007875536215039494,
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| null | null | null | null | null | 0.416485
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| null |
CO_6213778155414139130813880
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[
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[
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[
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4.18508
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[
4.07015,
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[
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_236"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1224197847512054943811496
|
1224197847512054943811496855033537449659427657620584903344748333361900404636321356371043056216418336095095464214196380808821516253325196636306927684417797
| 2025-04-17T18:48:22
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.175048
|
[
[
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0.25685,
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0.079628,
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0
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[
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0.000001
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[
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[
[
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0
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[
0.012188980756846155,
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0
],
[
0,
0,
0.022965383168322414
]
] | true
| null | null | null | null | null | 0.687366
| 0.328861
| null |
CO_8437279565262037395792109
|
8437279565262037395792109112017764704416744091528246296782271286316015426074225901130844046113754365805321418922324793411737931531269776075470930339520202
|
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|
[
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0
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[
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0
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[
0,
0,
3.6659
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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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0
],
[
-7.59717,
7.59717,
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_124"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6779022737477461464963562
|
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| 2025-04-16T21:29:37
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.162484
|
[
[
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0.00002
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[
0.486046,
0.280628,
0.000031
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[
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[
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[
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[
0.360747,
0.208281,
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[
0.320614,
0.185096,
-0.000001
]
] |
[
[
0.004978664584443298,
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1.2483018251766518e-7
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[
0.0017591693471301962,
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6.241509125883259e-8
],
[
1.2483018251766518e-7,
6.241509125883259e-8,
-0.009845044419711957
]
] | true
| null | null | null | null | null | 0.783012
| 0.483912
| null |
CO_1036398173062680321247728
|
10363981730626803212477284766706640747823253359065266746354597275917890191107693550102501363348188986651747570249777081104195394847319723899407687808955768
|
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|
[
[
0,
0,
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[
4.57632,
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0
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[
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0
]
] |
[
[
1.64424,
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[
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[
0.34328,
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[
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[
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[
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0.00001
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[
1.69703,
2.48227,
0
],
[
0.39705,
4.73669,
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_61"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6799839712463184316735886
|
6799839712463184316735886169702852025605945624604570119959471478535592746472965536856918880290293771530849461541795676174198995553896571542209022724310844
| 2025-04-17T18:48:22
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.225572
|
[
[
-0.000635,
0.002467,
-0.478009
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[
0.001704,
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-0.074632
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[
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0.123958
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[
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0.335204
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[
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0.385182
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[
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0.00172,
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[
0.010099,
-0.000967,
-0.37476
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[
-0.002583,
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0.120313
]
] |
[
[
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0.0000356390171087934,
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[
0.0000356390171087934,
-0.010315716622894813,
0.00032274843689942325
],
[
0.00033704149279769593,
0.00032274843689942325,
-0.012526396740191403
]
] | true
| null | null | null | null | null | 0.478016
| 0.241215
| null |
CO_3713754676164482321902248
|
3713754676164482321902248881790849163657652130480870260127701003098030041370218119925848706767514444280026070354319403246337904622010276730628073959678104
|
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|
[
[
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0.02928
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[
-1.38723,
2.39688,
-0.019447
],
[
1.25955,
-0.727189,
16.5098
]
] |
[
[
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1.6703,
16.2279
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[
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1.61508,
4.05061
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[
1.32865,
0.82883,
8.34938
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[
1.28589,
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12.6262
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[
1.36976,
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1.89725
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[
2.72655,
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6.23227
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[
2.6863,
0.04503,
10.5097
],
[
2.65736,
0.06175,
14.4482
]
] |
[
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_14"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6816570387835086903658324
|
6816570387835086903658324664838747158741436911486374506441274606572188606986059530245355387681943214033050975225183383566954756453862835138940958231987238
| 2025-04-16T16:48:35
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.969659
|
[
[
-0.000024,
0.070946,
-0.000001
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[
-0.000017,
0.320387,
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[
0.000019,
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0.000001
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[
0.000027,
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-0.000002
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[
0.000038,
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[
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0.000001
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[
0.00002,
-0.322967,
0.000001
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[
-0.00002,
-0.493196,
0.000001
]
] |
[
[
-0.009457571533177124,
-6.241509125883259e-8,
0
],
[
-6.241509125883259e-8,
0.021263448459876565,
0
],
[
0,
0,
-0.020460915216470497
]
] | true
| null | null | null | null | null | 0.523782
| 0.334986
| null |
CO_1196812857384267886413491
|
11968128573842678864134918150522589799417359760328760748304785503944691115736174341740797681200248099312330828703267790761527435913821553814951644542472013
|
12379751432193229366833038188607427294140658536903025294805890002280374453744359836479867725998424996399609257712846006234752294887879163098023676327846258
|
[
[
2.70729,
0,
0
],
[
0,
8.80951,
0
],
[
0,
0,
3.95254
]
] |
[
[
0,
0.10507,
0
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[
0,
4.52787,
0
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[
1.35364,
6.68101,
0
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[
1.35364,
0.56771,
1.97627
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[
1.35364,
2.41156,
0
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[
0,
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1.97627
],
[
1.35364,
5.02955,
1.97627
],
[
0,
7.39161,
1.97627
]
] |
[
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_205"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6836515975838226411430605
|
6836515975838226411430605123626675904731597285367903382284533852440664596180031784057797138237527361693605134218943166241756892525374464084373032800416275
| 2025-04-17T18:26:41
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.193923
|
[
[
0,
0.600039,
-0.001221
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[
0,
-0.000129,
0.000901
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[
0,
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],
[
0,
0.000495,
0.000947
],
[
0,
0.000004,
0.004446
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[
0,
-0.000383,
0.00427
],
[
0,
-0.244637,
-0.004077
],
[
0,
0.244598,
-0.004065
]
] |
[
[
-0.05757124327150835,
0,
0
],
[
0,
0.03431363264591209,
-6.241509125883259e-8
],
[
0,
-6.241509125883259e-8,
-0.06077432333982039
]
] | true
| null | null | null | null | null | 0.60004
| 0.212505
| null |
CO_1028694631982456963861030
|
10286946319824569638610304470602756268095820937407182265413823086615753761322380382821624591255309021940796990047290907231589345221295458383230155959837125
|
1821574111311403240752178700910739802247928122785720945430221470380330853012726459600934375004826756547280929562445358790005196107030421158052730569492179
|
[
[
3.53838,
0,
0
],
[
0,
3.95499,
0
],
[
0,
0,
7.15839
]
] |
[
[
1.76919,
2.56507,
0.00005
],
[
0,
2.63666,
1.78956
],
[
1.76919,
2.70826,
3.57925
],
[
0,
2.63663,
5.36874
],
[
1.76919,
0.65913,
1.78944
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[
1.76919,
0.65921,
5.36865
],
[
0,
0.68663,
0.00014
],
[
0,
0.63172,
3.57934
]
] |
[
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_353"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1232118083501327538914405
|
12321180835013275389144058029457627265508814127370291689472031043804752557859613013929693663626790057302120815881691729458403359624301243612055376764780478
| 2025-04-16T16:20:54
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.427224
|
[
[
0.000013,
0.792464,
-0.000015
],
[
-0.000021,
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-0.000025
],
[
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],
[
-0.000013,
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0.314875
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[
0.000013,
0.548508,
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],
[
-0.000011,
0.650578,
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],
[
0.000016,
-0.374773,
-0.124403
],
[
0.000016,
-0.374747,
0.124515
]
] |
[
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[
0,
1.8724527377649775e-7,
-0.0015057016615280772
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] | true
| null | null | null | null | null | 0.792464
| 0.530021
| null |
CO_3322080159657833428966151
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3322080159657833428966151924321207842498629703813867986263775712598255629345011513058125607482174219837857171609113073481000865684408571970267770124930355
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0,
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[
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[
0,
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[
0,
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[
true,
true,
true
] |
Co4Nb4
|
CoNb
|
AB
|
[
"Co",
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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_143"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1231493293522274642140147
|
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| 2025-04-16T16:50:51
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -50.459305
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[
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[
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0.004075393383745474,
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] | true
| null | null | null | null | null | 1.158223
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CO_8088681373225727556329617
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8088681373225727556329617834927086137842779061281631945961316230292335688034378656203007746698727923660982815741982564913864260586429924334423749782355658
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[
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[
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2.86793
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[
0,
0,
0
]
] |
[
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_382"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6855157957247118993611426
|
6855157957247118993611426432050143585398383935828494175870050397120111014903664582041246927391577108342567445883652072548080227798932027680155721465047030
| 2025-04-16T18:22:48
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.555045
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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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0
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[
0,
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]
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| null | null | null | null | null | 0.7578
| 0.463702
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CO_9702185233670196417439364
|
9702185233670196417439364210595631914199056066593878103117293703138469381100422684569933443292728555421060071271688204852457489806654235773767238961866137
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0,
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[
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[
1.42591,
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2.27202
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[
0,
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2.06621
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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_82"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1232698122065161532273485
|
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| 2025-04-16T16:30:10
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.500879
|
[
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[
0.000001,
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0,
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[
0,
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[
0,
0.00001,
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] |
[
[
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0,
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[
0,
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],
[
-7.48981095105991e-7,
-4.36905638811828e-7,
-0.04683871866918706
]
] | true
| null | null | null | null | null | 0.597167
| 0.226849
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CO_8277616308814079896023019
|
8277616308814079896023019568860660490102313328998915910053107008635740393690656022413117274666263015651006300649282635283061134769792198651925687246105869
|
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|
[
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[
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0.000002
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[
0,
0,
11.4592
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[
[
0,
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[
0,
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[
0,
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[
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0,
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[
0,
0,
11.2815
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[
0,
0.00001,
2.8648
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[
0,
0,
5.90724
]
] |
[
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_215"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6915097901334480846814990
|
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| 2025-04-16T18:32:22
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -62.834071
|
[
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0.292849,
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0
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0.579877,
0
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0
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0
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0.253865,
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0
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[
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0
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[
0.447148,
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0
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[
0.086283,
0.466664,
0
]
] |
[
[
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0
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[
0.0043234933714993325,
-0.014656374144490324,
0
],
[
0,
0,
-0.021285480987090932
]
] | true
| null | null | null | null | null | 0.812163
| 0.5708
| null |
CO_2047618652482502245083779
|
2047618652482502245083779290905333907483625423542335245791788996811054388921885370310947978033188767441094602261778468868606173462917618500133030725385023
|
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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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0
]
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[
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0
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[
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[
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[
0.09542,
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[
-0.13341,
0.49681,
0
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[
0.64492,
4.16735,
0
]
] |
[
true,
true,
true
] |
Co6Nb2
|
Co3Nb
|
A3B
|
[
"Co",
"Nb"
] |
[
0.75,
0.25
] |
[
27,
27,
27,
27,
27,
27,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_1"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1238500962334334653462693
|
12385009623343346534626936588408129837287992730000505245410614385928651252686200676137606530444236446572171240691069457420393129955919113173187578439316918
| 2025-04-16T17:42:15
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -50.474044
|
[
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0.29774,
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0.005793
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[
0.000024,
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[
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[
0.006922,
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[
0.000062,
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[
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[
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0.010765417355414702
],
[
-0.013283741457526078,
0.010765417355414702,
0.006891250225887706
]
] | true
| null | null | null | null | null | 0.318301
| 0.172285
| null |
CO_6547959508170819754705101
|
6547959508170819754705101695169873524814314803526803600179358416902742303999338417854000537686317510309785733643886082115865052848104761411233030411990535
|
11414351250781159699170068732960490648797005189258227641245768565557325787831499479534440233964698318458596624224825492162359838105158270731007628782935244
|
[
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[
1.83589,
3.90683,
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[
-3.57293,
1.90761,
1.97285
]
] |
[
[
0.5662,
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[
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2.00036
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[
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[
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4.18607
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[
-1.35485,
3.62808,
5.65121
],
[
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_71"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6935926355512601290790443
|
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| 2025-04-16T16:28:19
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.405323
|
[
[
0.209221,
0.295681,
0.475696
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[
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[
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[
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[
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[
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[
0.15918,
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0.428993
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[
0.056849,
0.120572,
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]
] |
[
[
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[
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0.002371523807470603
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[
-0.003767562153656911,
0.002371523807470603,
-0.007377151711337717
]
] | true
| null | null | null | null | null | 1.196626
| 0.615572
| null |
CO_4869430924726328356924464
|
4869430924726328356924464293527126257586798473159166717383446751014271762737049350144167559107029325781446604657988098984576807083514170786709231606785542
|
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|
[
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[
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[
1.21821,
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16.0824
]
] |
[
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[
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[
0.15838,
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[
1.28944,
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11.7514
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[
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4.44368
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[
2.13733,
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13.7738
],
[
0.81617,
1.21823,
16.0243
],
[
0.56404,
0.48848,
2.15434
]
] |
[
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_91"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6940140496685188370430723
|
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| 2025-04-16T20:41:36
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.408208
|
[
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0.407525,
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[
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| null | null | null | null | null | 0.770252
| 0.320552
| null |
CO_7361222816138315030675472
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[
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[
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[
2.07364,
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[
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[
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[
-2.01678,
0,
2.01679
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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_366"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6946123534796900272714272
|
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| 2025-04-17T18:16:17
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -54.605293
|
[
[
0,
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[
0,
0.000271,
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[
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[
0,
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[
0,
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[
[
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0
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[
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],
[
0,
-0.000039633582949358685,
-0.0012901823514113284
]
] | true
| null | null | null | null | null | 2.178094
| 0.829194
| null |
CO_1194490238163256264523558
|
11944902381632562645235587152277388162587814149710278469850073534339819044700990031021811928365091649363082065634542118172592347856355839465899479338637478
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|
[
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0
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[
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0
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[
0,
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12.9528
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[
[
0,
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[
0,
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[
0,
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[
0,
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[
0,
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11.1024
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[
0,
0,
0
],
[
0,
3.7008,
3.7008
]
] |
[
true,
true,
true
] |
Co5Nb2
|
Co5Nb2
|
A5B2
|
[
"Co",
"Nb"
] |
[
0.7142857142857143,
0.2857142857142857
] |
[
27,
27,
27,
27,
27,
41,
41
] | 7
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_157"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6968056012368942497460909
|
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| 2025-04-16T18:59:11
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.816157
|
[
[
0.691242,
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0.711575
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[
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[
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[
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[
-0.186157,
0.509522,
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[
0.000034,
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]
] |
[
[
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0.04534712281828348,
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[
0.04534712281828348,
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0.006993923051008484
],
[
-0.005977493289858396,
0.006993923051008484,
-0.014834381984760515
]
] | true
| null | null | null | null | null | 1.194687
| 0.68622
| null |
CO_1242912415651968404679508
|
12429124156519684046795086276664113190948123521384156563034224165982241375233660596676159743676291696488426996637988757645783097494469923038438587047082454
|
2596669382087129194624044654976289462214130873635361491467673691632329478374593235266756751488101442769531486972916489792681892932896605124303073661177662
|
[
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[
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[
4.32077,
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8.54363
]
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[
[
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[
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[
2.77973,
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[
2.88959,
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[
2.25149,
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[
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[
0.9336,
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8.46757
],
[
6.95558,
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8.75645
]
] |
[
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_175"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6980075471876788893168251
|
6980075471876788893168251718483621044064870295167258109308282390514732467769397197646615844696593398563369198551282036801346571367328726136575483938536617
| 2025-04-16T16:05:10
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.33803
|
[
[
-0.262182,
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0.026932
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[
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0.315819,
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[
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[
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[
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0.371746
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[
0.014254,
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[
0.063099,
0.183772,
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[
0.283328,
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-0.128703
]
] |
[
[
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[
0.012267124451102215,
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0.0009518301416971968
],
[
0.0019391744703206695,
0.0009518301416971968,
0.021566161652481906
]
] | true
| null | null | null | null | null | 0.515435
| 0.351452
| null |
CO_1846439322610057665677968
|
1846439322610057665677968509233891431471795061019023539396509100226944444635381159572222772280020931216651633130120721213655364814498702556805707503995552
|
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|
[
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0.46384
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[
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[
1.41257,
0.812704,
18.3977
]
] |
[
[
2.20583,
3.16925,
18.6957
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[
0.97154,
0.49361,
1.99686
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[
2.53777,
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12.2723
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[
2.54799,
1.68025,
16.6519
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[
-0.1678,
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4.13675
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[
1.001,
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7.19277
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[
1.27608,
0.87362,
9.76245
],
[
1.35337,
3.06159,
14.368
]
] |
[
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_324"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1245967079858105454709370
|
12459670798581054547093700538897664815261443837123858727370282576013833135355507267823837516081247436174904222536085505823849957950658905110101908449497073
| 2025-04-16T20:35:09
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.328567
|
[
[
0.024611,
0.024624,
0
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[
-0.000021,
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0
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[
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0
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[
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0
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[
2.085631,
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0
],
[
3.275744,
3.274431,
0
],
[
-3.275765,
-3.274485,
0
],
[
-2.085557,
2.086842,
0
]
] |
[
[
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0.0029416232510287793,
0
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[
0.0029416232510287793,
-0.01716783258656323,
0
],
[
0,
0,
-0.006723478460583964
]
] | true
| null | null | null | null | null | 4.631726
| 1.904218
| null |
CO_7134389079722910239561038
|
7134389079722910239561038957385501713472567414243477720711184208290376541865343115146920691386377034793595152408331351878468768563176147043548089820961137
|
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|
[
[
0,
0,
3.853
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[
1.9265,
5.7795,
0
],
[
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0
]
] |
[
[
0,
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0
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[
0,
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[
0,
3.853,
0
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[
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[
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[
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0
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[
-1.9265,
5.7795,
0
],
[
-1.9265,
7.70599,
1.9265
]
] |
[
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_284"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6881238953443797612646242
|
6881238953443797612646242791580492596238897926642221714265304244804419293052845618705688714542712317777557893363451681326448943343546656856595704183566772
| 2025-04-16T16:52:26
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -47.870954
|
[
[
-0.000399,
1.34662,
0
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[
-0.000099,
-1.343944,
0
],
[
0.000574,
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0
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[
0.000262,
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0
],
[
-0.000139,
2.323458,
0
],
[
-0.000198,
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0
]
] |
[
[
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0.000002246943285317973,
0
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[
0.000002246943285317973,
-0.009214090262176417,
0
],
[
0,
0,
-0.01837887260225836
]
] | true
| null | null | null | null | null | 2.323458
| 1.223359
| null |
CO_6820073399707899750654968
|
6820073399707899750654968644517454444459980079353598904243587847260031703358009025176309887457697812798895073659387271660457888700047795278059364386587946
|
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|
[
[
2.62111,
0,
0
],
[
1.31056,
6.80985,
0
],
[
0,
0,
4.28026
]
] |
[
[
1.31056,
2.26995,
0
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[
2.62111,
4.5399,
0
],
[
2.62111,
3.0266,
2.14013
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[
0,
0,
0
],
[
1.31056,
0.75665,
2.14013
],
[
1.31056,
5.29655,
2.14013
]
] |
[
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_227"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_6866065871680972244832518
|
6866065871680972244832518114823577374508975882179100008935345809531808205933519590073055367738989154578571110229306223261636929746644945145732176697788252
| 2025-04-16T18:30:46
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -49.305039
|
[
[
-0.023213,
-0.035368,
0
],
[
0.028222,
-0.269635,
0
],
[
0.001173,
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0
],
[
-0.016593,
0.191827,
0
],
[
0.013558,
-0.480603,
0
],
[
-0.003147,
0.652426,
0
]
] |
[
[
-0.0063694600629638646,
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0
],
[
-0.003040301510308994,
-0.027237633749898245,
0
],
[
0,
0,
0.010538101593050034
]
] | true
| null | null | null | null | null | 0.652434
| 0.282974
| null |
CO_5717424652695237194839954
|
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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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4.39812
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[
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[
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2.19906
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[
1.3424,
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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_68"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_6866931461254727956536377
|
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| 2025-04-16T20:38:45
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.870632
|
[
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[
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] | true
| null | null | null | null | null | 0.984054
| 0.50508
| null |
CO_9552048511858436994318416
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9552048511858436994318416776100767234215299309966562301145135486869290519860709616075444063275167052085602063397877006806105902204249122210836177837399242
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0
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[
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[
2.24666,
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0
],
[
1.87023,
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2.05681
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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_336"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1246324012266035783171099
|
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| 2025-04-16T18:49:27
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.904317
|
[
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0.000028,
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[
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[
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[
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0.0015600027909232616
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[
0,
0.0015600027909232616,
0.04850145670032236
]
] | true
| null | null | null | null | null | 0.768582
| 0.338705
| null |
CO_4371627258326988646134497
|
4371627258326988646134497461765657379827921454261368834304385141439170582898364478649553695186646772303924266660153224166514233433188549518382903606816092
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|
[
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0
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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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[
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[
0,
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[
1.55092,
2.88678,
4.72506
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[
1.55092,
0.63846,
2.25735
]
] |
[
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_140"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1251589052543656492104075
|
12515890525436564921040759046596607979152704956682269946016202460854111198461538636166074346449551343373498652823946967437965264112387141925820774436764494
| 2025-04-16T21:37:22
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.36048
|
[
[
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0
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0
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[
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0
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0
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[
-0.744048,
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0
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[
0.336045,
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0
]
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[
[
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0
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-0.018919949028381178,
-0.012068582045807867,
0
],
[
0,
0,
0.002100704726498528
]
] | true
| null | null | null | null | null | 1.221219
| 0.602657
| null |
CO_8372416897633358183721292
|
8372416897633358183721292074581214760315800793716670106332086797429321312233251654489900658450903089012495067429812222726674688750955695624445211117217880
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[
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[
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0
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[
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3.77673,
0
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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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[
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[
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4.32247,
0
],
[
-1.6869,
9.75104,
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_277"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7045674772802506009237948
|
7045674772802506009237948506880756335022163850743867937297754077956860289722793755573838258071019221038737648830630447225495324545609367382043567393166433
| 2025-04-16T21:09:01
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.14787
|
[
[
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0.048813,
0.085419
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[
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0.066647,
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[
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[
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[
0.000044,
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[
0.000042,
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0.612335
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[
-0.000045,
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[
0.000039,
0.448716,
0.414575
]
] |
[
[
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0,
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[
0,
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0.00533143468023822
],
[
-6.241509125883259e-8,
0.00533143468023822,
0.04181012201173669
]
] | true
| null | null | null | null | null | 0.935102
| 0.452588
| null |
CO_4271053967391205916678028
|
427105396739120591667802883633045756451098371754646532941133256610173609076148445046660655703544519751581703605092436277418029450422249832503435132714482
|
1161005137227317364994036893182143096060420251055099089141637383261527646962652402983150316048227946449268515634760685228253124176024625752487256787258523
|
[
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0
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[
0,
3.74826,
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[
0,
1.49926,
8.68132
]
] |
[
[
1.55991,
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[
1.55991,
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[
0,
2.648,
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[
1.55991,
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3.75639
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[
0,
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[
0,
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3.97125
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[
1.55991,
1.5504,
6.47551
],
[
0,
3.39246,
6.07212
]
] |
[
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_80"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1252571575029009689982324
|
12525715750290096899823247006264811919197671520350014565710552047260754461728779265040704168637046566781981441395957752029965682930289517401386770604410852
| 2025-04-16T21:56:50
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.746269
|
[
[
0.076226,
0.0011,
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[
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0.00207,
0.07969
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[
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[
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[
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0.14913,
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[
0.087118,
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[
-0.086514,
0.002808,
0.085261
]
] |
[
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0.003760821323800957,
0.005608807345792472,
0.005078216655001137
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[
0.005608807345792472,
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0.0056955019075509905
],
[
0.005078216655001137,
0.0056955019075509905,
0.003923225391256439
]
] | true
| null | null | null | null | null | 0.210944
| 0.138319
| null |
CO_6013079109762646026379599
|
6013079109762646026379599537218357801198958332143651482134012321277525590700949193646270459427040467691752278040859087472814054361227898795389419537344318
|
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|
[
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1.83614
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[
-1.82593,
3.84773,
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],
[
-5.50918,
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1.83646
]
] |
[
[
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[
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1.79903
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[
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0.0387
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[
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[
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3.66447
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[
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[
-3.76592,
5.78314,
1.93706
],
[
-1.73324,
3.85686,
1.73682
]
] |
[
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_272"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1253851035466165385467373
|
12538510354661653854673735465302861356086462395024804187761695736990444640505217286998480028766713364898500006156919363080683829765007659150511532260105096
| 2025-04-16T18:06:57
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.52627
|
[
[
-0.434794,
0.426296,
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[
0.092685,
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[
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1.116681
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[
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[
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0.23943
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[
1.174284,
0.893228,
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[
-0.403863,
0.326846,
0.097603
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[
0.247838,
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0.123453
]
] |
[
[
0.0058220797126239026,
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0.006831706228826779
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[
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0.013932608746252902
],
[
0.006831706228826779,
0.013932608746252902,
-0.017155411983402723
]
] | true
| null | null | null | null | null | 1.519857
| 0.864103
| null |
CO_3982260536833759748711539
|
3982260536833759748711539271692019588034915252359844179886148412819159794243566081210423807301889641478211778418542429310293694775957468544820430068336333
|
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|
[
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[
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[
-1.20677,
2.26448,
3.96993
]
] |
[
[
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[
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[
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[
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[
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[
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4.04981
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[
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3.32126
]
] |
[
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_219"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1254487062972694252794814
|
12544870629726942527948142197459692463150089002697533796186725438078574557799400833443447917958869628231048360273804505401655642715493704508128104788602865
| 2025-04-16T16:25:53
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -58.427967
|
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
-0.005206105176990485,
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],
[
-6.241509125883259e-8,
-0.005294609776395509,
0
],
[
-0.000052366261566160536,
0,
-0.005044637335903884
]
] | true
| null | null | null | null | null | 0
| 0
| null |
CO_7218570142680580516685233
|
7218570142680580516685233955524069167926898782202622439436777403698511739580978318300625842827038505061049677889244454478858931176043261428608678577210205
|
4343781228329216955302753013269440489516515451133302971663357859022904633678666411894486528237658028125908948956733195557894497443142793451976765324470203
|
[
[
3.51558,
0,
3.51558
],
[
3.51558,
3.51558,
0
],
[
-3.51558,
3.51558,
0
]
] |
[
[
0,
1.75779,
1.75779
],
[
1.75779,
0,
1.75779
],
[
-1.75779,
1.75779,
0
],
[
1.75779,
1.75779,
0
],
[
1.75779,
3.51558,
1.75779
],
[
3.51558,
1.75779,
1.75779
],
[
0,
3.51558,
0
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co7V
|
Co7V
|
A7B
|
[
"Co",
"V"
] |
[
0.875,
0.125
] |
[
27,
27,
27,
27,
27,
27,
27,
23
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_263"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1256612832335684297223924
|
12566128323356842972239249389823348127657750670212099893659150884978819494170865575614774644119024902091804020792791437630070406227118249074574398700719704
| 2025-04-16T21:17:22
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.72879
|
[
[
0.013785,
-0.120863,
0.44464
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[
0.014883,
0.026358,
0.072582
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[
-0.044182,
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[
0.013516,
0.067692,
-0.510525
],
[
-0.029924,
0.337333,
0.714014
],
[
0.031838,
0.045287,
0.41695
],
[
0.007405,
0.105273,
-0.249979
],
[
-0.007321,
-0.224563,
-0.713381
]
] |
[
[
-0.0017122956135948127,
0.0009481476513129257,
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],
[
0.0009481476513129257,
0.023883509160739842,
-0.0013034143507582006
],
[
-0.0019236955276884789,
-0.0013034143507582006,
0.015382823391651876
]
] | true
| null | null | null | null | null | 0.790256
| 0.447754
| null |
CO_7594589111216560180062326
|
7594589111216560180062326227082524829471668635902692787257815060446233198779191893571285507175986778589173883057021849216330324563738781985681982978817118
|
2198232809179981518278895997234329990847949070139957106086162695811943567400528194373222935515658131650549325865801933560498398031870390181322997556786929
|
[
[
2.82598,
-0.040025,
-0.032286
],
[
-1.35608,
2.32223,
-0.256354
],
[
1.35401,
0.781382,
17.6935
]
] |
[
[
1.34703,
0.57684,
9.16792
],
[
2.79678,
1.49179,
11.0124
],
[
1.42383,
2.30577,
12.8321
],
[
2.81555,
1.61601,
14.8078
],
[
1.42213,
1.09899,
17.0006
],
[
1.45482,
0.79237,
1.91615
],
[
-0.00689,
1.45072,
4.71877
],
[
1.39749,
2.15143,
7.13872
]
] |
[
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_163"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1257421421187450942215428
|
12574214211874509422154288366125059445282947891002064153875488130121531304861418673354828747623336924879320926956837593101276413756758054809822072198956696
| 2025-04-16T15:41:03
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.360667
|
[
[
-0.000043,
2.307171,
-0.000059
],
[
-0.000009,
-0.105314,
-0.000023
],
[
-0.000025,
-0.061505,
0.000014
],
[
0.000021,
0.178825,
0.000048
],
[
0.000042,
1.697588,
-0.000326
],
[
-0.000049,
-0.449348,
0.000344
],
[
0.000024,
-1.63211,
0.000012
],
[
0.00004,
-1.935308,
-0.000011
]
] |
[
[
-0.04537939142046429,
2.4966036503533035e-7,
0
],
[
2.4966036503533035e-7,
0.0007066012481412436,
-3.744905475529955e-7
],
[
0,
-3.744905475529955e-7,
0.012673696355562248
]
] | true
| null | null | null | null | null | 2.307171
| 1.045896
| null |
CO_8151494657253077143083094
|
815149465725307714308309471377896202060263265894528718124983622707609036911373594256072359759777157162060447899956878972755600196691005214946595424179437
|
10626005931263101499312474161134677713692774230756671891281038103499098537351306829361838183364318834480595335453309166266068719809161353056405772166525490
|
[
[
2.97129,
0.000001,
0
],
[
0,
8.63888,
0
],
[
0,
-0.000001,
4.32596
]
] |
[
[
1.48565,
2.04907,
0
],
[
1.48565,
6.88036,
0
],
[
1.48565,
0.57072,
2.16298
],
[
0,
2.4745,
2.16297
],
[
0,
4.36031,
0.00001
],
[
1.48565,
4.64964,
2.16297
],
[
0,
7.22608,
2.16298
],
[
0,
0.58556,
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_369"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1261773373829536459443960
|
12617733738295364594439605259374259159221826028655996802494468498067523563038371047275522390417264512352812697324435985189197089991294212316226214709610555
| 2025-04-16T15:41:31
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -31.963086
|
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
0.011525695582038541,
0,
0
],
[
0,
0.01152794252532386,
0
],
[
0,
0,
0.011525695582038541
]
] | true
| null | null | null | null | null | 0
| 0
| null |
CO_1060506100929248676392702
|
10605061009292486763927023552734977975615016224319787413237297565631762392644481185288799585862301384348410231238846348890469213200175518142600068190216557
|
9792311220381756611921182761450279079023387816220888954925890707097226275062232728653751205758388597456152917291674687277176245829856152741089644381680895
|
[
[
0,
3.67418,
0
],
[
-3.67418,
0,
0
],
[
0,
0,
3.67418
]
] |
[
[
0,
1.83709,
1.83709
],
[
-1.83709,
0,
1.83709
],
[
-1.83709,
1.83709,
0
],
[
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_250"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7194179444715255528518198
|
7194179444715255528518198108952173655399941669322063870048793782640099745754698803212046329027418104338833022507820016997120048118814131877638589844845802
| 2025-04-16T18:43:44
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.160257
|
[
[
0.300722,
0.000082,
-0.300736
],
[
-0.300686,
-0.000026,
0.300744
],
[
0.300725,
-0.000071,
-0.300739
],
[
0.000028,
0,
-0.000025
],
[
-0.300684,
0.000015,
0.300742
],
[
-0.000074,
0,
-0.000045
],
[
-0.000034,
0,
0.000045
],
[
0.000002,
0,
0.000014
]
] |
[
[
-0.014028166250970175,
6.241509125883259e-8,
0.0008367991285071684
],
[
6.241509125883259e-8,
-0.03234955455417915,
6.241509125883259e-8
],
[
0.0008367991285071684,
6.241509125883259e-8,
-0.014027604515148845
]
] | true
| null | null | null | null | null | 0.425299
| 0.212667
| null |
CO_4763298304835232467667924
|
4763298304835232467667924874933851923419118284978508938831340572785183460302622770907893909691207197446895149181756057563124233280527565495227785856315626
|
387021773990848385754153247631413946624559653649511556481738690554884439052499230339390827112031097393987550658351361513300442401972433746775586695615213
|
[
[
1.86364,
3.49175,
1.86364
],
[
-3.75204,
0,
3.75204
],
[
1.86364,
-3.49175,
1.86364
]
] |
[
[
-0.04857,
1.74587,
1.91222
],
[
0.02381,
-1.74587,
5.56711
],
[
-0.04857,
-1.74587,
1.91222
],
[
-0.01238,
0,
3.73967
],
[
0.02381,
1.74587,
5.56711
],
[
-1.87601,
0,
1.87603
],
[
1.86364,
0,
1.86364
],
[
0,
0,
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_162"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7165340953846819950879655
|
7165340953846819950879655533414424618463353774338061290335658328683470032563400080036663568722395233588004451824066613436766365682674714101094195200809810
| 2025-04-16T17:49:42
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.515735
|
[
[
-0.650007,
-0.974081,
0.374989
],
[
0.650019,
0.974176,
-0.37502
],
[
-0.64328,
-0.09883,
-0.14013
],
[
0.64333,
0.09892,
0.140163
],
[
0.000064,
0.000021,
-0.000061
],
[
-0.000035,
-0.00008,
-0.000007
],
[
0.000014,
-0.000051,
0.000044
],
[
-0.000105,
-0.000075,
0.000022
]
] |
[
[
-0.01854464708464182,
-0.054131110686595284,
0.01154392078868612
],
[
-0.054131110686595284,
-0.030213647716210643,
0.01669428928918247
],
[
0.01154392078868612,
0.01669428928918247,
-0.036508708990393976
]
] | true
| null | null | null | null | null | 1.229709
| 0.473907
| null |
CO_3298404238326158345082423
|
3298404238326158345082423083400382791123665851398401341808125104397637627605864101474079338748296157842877529226613511385144107335440570324293363106599566
|
1790972530987067099877541286083685131666544824008998717395994648275375813389511338964881103975312622541890436300919151625913477527516412335752691605714299
|
[
[
1.3155,
3.89626,
1.79489
],
[
-3.40005,
0.509198,
4.02093
],
[
-0.888664,
-5.16083,
4.50953
]
] |
[
[
-0.06443,
2.19013,
1.87871
],
[
-2.90878,
-2.9455,
8.44665
],
[
-0.4372,
-0.6138,
4.26452
],
[
-2.53602,
-0.14157,
6.06083
],
[
-1.27319,
-1.00997,
8.31489
],
[
-0.44433,
-2.58041,
2.25477
],
[
-2.14436,
-2.32581,
4.26523
],
[
-4.28871,
-4.65162,
8.53046
]
] |
[
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_62"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1269869422238458599485257
|
12698694222384585994852571553989713257906434927597076490041364102277753768408113135331375398249176083425556301906113816800702501015971868620055193599260714
| 2025-04-16T15:42:57
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.771587
|
[
[
0.109123,
-0.15229,
-0.738541
],
[
0.092399,
-0.096342,
-0.011228
],
[
-0.092434,
0.096327,
0.011209
],
[
-0.109147,
0.152318,
0.738555
],
[
0.000068,
-0.00007,
0.000046
],
[
0.453914,
-0.472671,
-0.607248
],
[
-0.000049,
0.00005,
-0.000052
],
[
-0.453875,
0.472678,
0.607258
]
] |
[
[
-0.02587923170374101,
-0.0056445711930837835,
-0.004776314858582163
],
[
-0.0056445711930837835,
-0.020229667303356524,
0.0061869583361230385
],
[
-0.004776314858582163,
0.0061869583361230385,
0.01396431561261239
]
] | true
| null | null | null | null | null | 0.893424
| 0.447357
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CO_1217693408237048463170288
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[
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true,
true
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Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
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[
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[
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23
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| 3
| 3
|
[
1,
1,
1
] |
[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_7212304172439878293576609
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| 2025-04-16T19:49:39
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.897407
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0,
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CO_1063019344830215131810158
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[
true,
true,
true
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Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
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[
0.5,
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[
27,
27,
27,
27,
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23,
23
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| 3
| 3
|
[
1,
1,
1
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[
"CoNbV_CMS2019_26"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1270962717699046584428749
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| 2025-04-16T17:52:40
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -68.79016
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[
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| null | null | null | null | null | 0.62332
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CO_3798178151106681965036058
|
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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_354"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7252654662388426127155069
|
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| 2025-04-16T18:55:36
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -56.701129
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[
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[
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[
[
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[
0.004493824155544687,
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0.0008524653164131354
]
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| null | null | null | null | null | 0.686935
| 0.363832
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CO_9686249630345866062787267
|
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[
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[
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[
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[
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[
0,
0,
0
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[
true,
true,
true
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Co4Nb2V
|
Co4Nb2V
|
A4B2C
|
[
"Co",
"Nb",
"V"
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[
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[
27,
27,
27,
27,
41,
41,
23
] | 7
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_186"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1274561613110665607602231
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| 2025-04-16T16:08:14
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.802001
|
[
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0.040459,
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[
0.111328,
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[
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[
0.036349,
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[
0.000027,
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[
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[
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0.01627810546066857
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| null | null | null | null | null | 0.34218
| 0.203486
| null |
CO_6218360471431456656260858
|
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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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4.056,
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[
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_183"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7273837301789294060448703
|
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| 2025-04-16T20:22:40
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.897415
|
[
[
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0.046051,
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[
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[
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[
-0.0048091451965843095,
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]
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| null | null | null | null | null | 0.796325
| 0.356469
| null |
CO_4758351830883233009929450
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4758351830883233009929450968618370359072788262673143505519345494040966214615867256637350360270506282233883896277411382856301680893402935821342330913627273
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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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3.34013
],
[
-3.81581,
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0.37225
]
] |
[
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_379"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1276866552503386217850822
|
12768665525033862178508222588910995890338863914119750550831513372069340712135271240120805641379496333247861412276005125443793151915313515403708391360043170
| 2025-04-16T20:16:51
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.56034
|
[
[
0.491573,
0.00001,
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[
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[
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0.669858
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[
0.669884,
0.000014,
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] |
[
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[
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],
[
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]
] | true
| null | null | null | null | null | 1.410928
| 1.004037
| null |
CO_3555740068741629572564586
|
3555740068741629572564586108860588663517517882739037943468186377814299648269041947695447651406620677802821780645067776188196568948187009808372716004907188
|
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|
[
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[
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[
1.93592,
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1.93592
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[
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[
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0,
2.10532
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[
-2.25769,
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4.16668
]
] |
[
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_16"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1284905401901667727487928
|
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| 2025-04-16T18:57:59
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -68.679568
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[
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CO_1411148880833519915446555
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[
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[
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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_41"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1285354918268823297553739
|
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| 2025-04-16T17:47:42
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.915335
|
[
[
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[
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[
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[
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0.00036244443494004076,
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| null | null | null | null | null | 0.59888
| 0.364451
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CO_6440092087969808276512375
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[
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[
2.08076,
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[
0.73427,
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6.96079
]
] |
[
true,
true,
true
] |
Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
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[
0.5,
0.25,
0.25
] |
[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_362"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7385817354012084185110653
|
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| 2025-04-16T17:42:42
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.351857
|
[
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[
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[
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0.003431
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[
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[
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-0.056222640394678766
]
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| null | null | null | null | null | 0.004338
| 0.001726
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CO_3808177256707998775564011
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3808177256707998775564011351617702649115933525941007487967935272080470502975108132645131994408859698349930261124321476962869224173023687327142381805388179
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|
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[
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[
[
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[
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[
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] |
[
true,
true,
true
] |
Co4Nb4
|
CoNb
|
AB
|
[
"Co",
"Nb"
] |
[
0.5,
0.5
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[
27,
27,
27,
27,
41,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_156"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7405263147855968903721130
|
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| 2025-04-16T18:14:35
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -49.271762
|
[
[
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0.531598,
0.34455
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[
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[
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0.030142,
0.043563
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[
0.335065,
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[
[
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[
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0.016116575204490714
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| null | null | null | null | null | 0.638219
| 0.403243
| null |
CO_3610596450085043788095952
|
3610596450085043788095952266147442268861030624647307292171041088474865937953521868211812993014887621361955373966964652834212424133787356213733104078084343
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|
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0.225021,
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[
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[
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[
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[
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[
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1.91626,
3.76704
],
[
-2.27904,
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2.01808
]
] |
[
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_85"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7435670578377599941251598
|
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| 2025-04-16T16:45:28
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.498406
|
[
[
0.204876,
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[
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[
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0.12236,
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[
0.42952,
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[
[
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[
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[
0.00023074859238390408,
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-0.004290288542949634
]
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| null | null | null | null | null | 0.953673
| 0.471953
| null |
CO_7675249252055881398520841
|
7675249252055881398520841787308605798534106993382781535730238449502768847173483861663591425699236242520501555580909147179183501972765149870348340735327475
|
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[
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[
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[
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[
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[
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3.46657
],
[
-3.55415,
3.55415,
6.42116
]
] |
[
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_318"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1290103443800527105336191
|
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| 2025-04-16T16:09:58
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.833098
|
[
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[
0.000063,
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0.000047
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[
0.5245,
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] |
[
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[
0.0011357674156369764,
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]
] | true
| null | null | null | null | null | 2.853823
| 1.23859
| null |
CO_2151202854726673580271833
|
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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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0
],
[
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5.53157
]
] |
[
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_296"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7453556289939040338498450
|
7453556289939040338498450684260216174961247267395461285382611310449875287234928667365333705403176897381589582814696101931431222760249469852011877337259616
| 2025-04-16T20:05:02
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -47.97068
|
[
[
-0.015058,
0.014022,
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[
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[
0.01377,
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[
0.018936,
0.037517,
0.34077
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[
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],
[
-0.0011551160939272146,
0.0019480374132794236,
0.0057224652269748065
]
] | true
| null | null | null | null | null | 0.343352
| 0.186738
| null |
CO_7931260199207792791756327
|
7931260199207792791756327561767755247388049665559252186459191248919256523234899053953086624752678593180747143120293184935666349234680919629126885296969554
|
3697183401626690926017360321690635693083586077567009084751428845641513238103179330214083988052494479433292417438920149193997734879741376730711457433310893
|
[
[
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[
-0.01124,
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[
-1.28443,
2.22453,
3.95665
]
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[
[
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[
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[
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[
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[
-4.07739,
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0.61887
],
[
-4.02489,
2.23355,
3.4033
]
] |
[
true,
true,
true
] |
Co4NbV
|
Co4NbV
|
A4BC
|
[
"Co",
"Nb",
"V"
] |
[
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] |
[
27,
27,
27,
27,
41,
23
] | 6
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_100"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1290822581075640806832124
|
12908225810756408068321245689152505691339948790979481964221264538200558467049609386182198243261892880860679534489018883873027514412010541806363326941294150
| 2025-04-16T21:44:51
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -51.820771
|
[
[
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0.049518
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[
0.038052,
0.300791,
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[
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0.490542
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[
0.002235,
0.041369,
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]
] |
[
[
0.018045326354571158,
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[
0.0011041853794600072,
0.013914445954696583,
0.002153757554068536
],
[
0.004938718926037646,
0.002153757554068536,
0.014149875678924898
]
] | true
| null | null | null | null | null | 0.610849
| 0.331737
| null |
CO_2235986102654482254908010
|
2235986102654482254908010519527508467526219514181859018016239005441531798620706660922084205210429789856197758450338286023350248229492103208660658580120992
|
4996091230101198549678287204149408181557212751497138782158310669312016242647529237033565389373410870221211563883120316850172813299136672198082764939467186
|
[
[
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[
0.027908,
-4.77381,
-0.245582
],
[
-1.30721,
2.3586,
4.12604
]
] |
[
[
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0.00016
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[
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4.03322
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[
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2.04983
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[
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[
-1.36193,
0.85333,
1.49677
],
[
-3.57286,
2.08796,
0.11056
]
] |
[
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_66"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1294228764114989912083826
|
12942287641149899120838268349931966550718637889752218155727036776768893943033828422951060407567288876307186696423372705786600332433472003489377036751456689
| 2025-04-16T18:41:33
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.657585
|
[
[
0.000647,
-0.935775,
0.173338
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[
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0.661814,
0.570732
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[
0.000752,
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[
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[
0.002454,
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[
0.000356,
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[
-0.002422,
-2.921528,
1.286035
],
[
-0.000325,
1.554622,
2.814498
]
] |
[
[
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0.000029834413621721976
],
[
-0.000017101735004920125,
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-0.00011852625830052307
],
[
0.000029834413621721976,
-0.00011852625830052307,
-0.022294920258020032
]
] | true
| null | null | null | null | null | 3.215315
| 2.058244
| null |
CO_8248008286152322061312720
|
8248008286152322061312720282853293484259009539838511858786799518841647004432831985121055640746080929353837456976821550171444007343091684613355523292866150
|
12345990474708677480455292137293233767463692098173353885111442722936907162496778201241391232280869397653907699275608013373322923018487334310626609922958561
|
[
[
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0,
0
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[
-1.36224,
2.35947,
4.44906
],
[
1.36224,
-7.07841,
4.44906
]
] |
[
[
0,
0,
0
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[
0,
0,
4.44906
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[
2.72448,
-1.57298,
2.22453
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[
0,
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6.67359
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[
1.36224,
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4.44906
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[
2.72448,
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4.44906
],
[
1.36224,
0.78649,
2.22453
],
[
1.36224,
-3.93245,
6.67359
]
] |
[
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_21"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1299022963482223082852557
|
12990229634822230828525578375254214138096774985366590569352357775312725200737380317198017624992290492138555620222088126194074896482720698262663546045490103
| 2025-04-16T18:29:13
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.972221
|
[
[
-0.050045,
0.94259,
1.076552
],
[
0.052883,
-0.604872,
-0.197717
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[
0.030969,
0.226678,
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[
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-0.29891
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[
0.010741,
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-0.121513
],
[
0.023049,
-0.064889,
-0.167284
],
[
-0.088711,
-0.036565,
-0.095625
],
[
0.064701,
0.149707,
0.582849
]
] |
[
[
-0.04230700855324827,
0.0028589856702020853,
-0.0019139587734521009
],
[
0.0028589856702020853,
-0.0037591985314282274,
-0.010159117158926402
],
[
-0.0019139587734521009,
-0.010159117158926402,
-0.007495990045094534
]
] | true
| null | null | null | null | null | 1.431763
| 0.574992
| null |
CO_5229202861104519456200341
|
5229202861104519456200341981877939228797266371856537845948980750286590447571892444889847405248832925591648963496269880627007037515322834719420227851935302
|
6420499496679878248340608019600289660055540216347058323146065439736898228452800372186756454490859707622545619765388088587830352975823065265846020813014465
|
[
[
2.87568,
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0.00833
],
[
-1.33765,
2.21998,
-0.509366
],
[
1.34931,
0.777343,
17.6221
]
] |
[
[
1.39933,
1.01634,
17.0659
],
[
2.82015,
1.20921,
11.5025
],
[
1.37689,
0.79272,
13.5367
],
[
2.84385,
1.43189,
15.1635
],
[
0.03084,
1.43351,
3.67388
],
[
1.48205,
2.14521,
6.2972
],
[
1.40689,
0.66143,
9.36433
],
[
1.46604,
0.73337,
1.2829
]
] |
[
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_349"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1301001917682062823186383
|
13010019176820628231863838774680028716841974607186225268609582492840201042496236089494956514400911852625714067605038102711186056082925611049276922808226863
| 2025-04-16T21:43:16
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -48.690205
|
[
[
0.493055,
0.28469,
0.000006
],
[
-0.493095,
0.284635,
0.000006
],
[
0.000025,
-0.569294,
0.000006
],
[
0.000017,
-0.000022,
-0.000003
],
[
0.000001,
-0.000005,
-0.000008
],
[
-0.000002,
-0.000004,
-0.000008
]
] |
[
[
0.008326235589019524,
1.2483018251766518e-7,
0
],
[
1.2483018251766518e-7,
0.00832648524938456,
0
],
[
0,
0,
-0.0033192969682359756
]
] | true
| null | null | null | null | null | 0.56935
| 0.284672
| null |
CO_3272745792260962502947954
|
3272745792260962502947954511002625223569778057858954955266987236227598111050799957516290620632193187743190237152970511130084863671633673456114337700209229
|
8278228110539558944739765929259176950372157455413404685021149515652826432364042049511014416498825638840705305052787494967805881631994421997401307036054925
|
[
[
0,
0,
3.80988
],
[
4.20751,
2.42921,
0
],
[
0.000001,
4.85843,
0
]
] |
[
[
1.69234,
5.8355,
1.90494
],
[
2.51518,
3.40629,
1.90494
],
[
0,
2.90428,
1.90494
],
[
0,
0,
0
],
[
1.4025,
2.42921,
0
],
[
2.80501,
4.85842,
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_361"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1302252737977808991192361
|
13022527379778089911923618437912884096996189153886274350875666514084445759951878121506157830377629286321456159790051047581826836666628117467477820018984855
| 2025-04-16T17:32:32
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.516754
|
[
[
0,
0.275338,
0.000017
],
[
0,
0.323757,
0.000028
],
[
0,
-0.090941,
-0.000011
],
[
0,
-0.406658,
-0.000013
],
[
0,
0.489077,
-0.000052
],
[
0,
0.338373,
0.000048
],
[
0,
-0.441754,
0.000004
],
[
0,
-0.487191,
-0.00002
]
] |
[
[
-0.008275804195282389,
0,
0
],
[
0,
-0.017580958075605443,
1.2483018251766518e-7
],
[
0,
1.2483018251766518e-7,
0.007928401797335727
]
] | true
| null | null | null | null | null | 0.489077
| 0.356636
| null |
CO_7359182036960077997959912
|
7359182036960077997959912882101031322652630858131917142989210958361757651628249979912334962388425132114650569890490248891387322652375313358506412854379008
|
9880021505726649534449752102880880574901653602794682297061303361003045654060348686891662311983886216451736350120481132671954923109447624215385381754620471
|
[
[
2.64678,
0,
0
],
[
0,
9.19255,
0
],
[
0,
0,
4.27869
]
] |
[
[
0,
4.56409,
0
],
[
1.32339,
0.96703,
2.13934
],
[
0,
3.08442,
2.13935
],
[
1.32339,
5.17007,
2.13935
],
[
0,
0.10105,
0
],
[
0,
7.57547,
2.13934
],
[
1.32339,
2.59251,
0
],
[
1.32339,
6.5872,
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_2"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1304671988514577772847305
|
13046719885145777728473059158105968209801727974924917730233147178647149938441833571980712107012970880844623898162656881285317889629483327016215272779670496
| 2025-04-16T17:29:14
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -58.156932
|
[
[
0,
0,
2.670921
],
[
0,
0,
-0.103527
],
[
0,
0,
0.043697
],
[
0,
0,
-0.000048
],
[
0,
0,
-0.043707
],
[
0,
0,
0.103879
],
[
0,
0,
-2.671224
],
[
0,
0,
0.00001
]
] |
[
[
-0.031144943292883677,
0,
0
],
[
0,
-0.031144943292883677,
0
],
[
0,
0,
-0.019523627791036606
]
] | true
| null | null | null | null | null | 2.671224
| 0.704627
| null |
CO_8229047989107836359998930
|
8229047989107836359998930807743694793150987473330173265050939078471075844772767687611167629050422042421299999478631340969402457570529654578596019317167807
|
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[
0,
1.78892,
12.5225
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[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co7Nb
|
Co7Nb
|
A7B
|
[
"Co",
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[
0.875,
0.125
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[
27,
27,
27,
27,
27,
27,
27,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_126"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1304408614148463704647343
|
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| 2025-04-16T21:29:37
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.469422
|
[
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[
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0.0063536690448753805,
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CO_1311288744900864500552592
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[
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[
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_29"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1309891874023881303505049
|
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| 2025-04-16T16:04:50
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -60.543952
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[
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0
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0
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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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[
0.0060957698877938836,
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0
],
[
0,
0,
-0.011114879451372905
]
] | true
| null | null | null | null | null | 0.321014
| 0.245009
| null |
CO_8929005185048572121103987
|
8929005185048572121103987185264090058819608403663918393111084591784405458706924261212166722268035870289972675059867399665871049767058832562919671596363987
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0
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[
2.49605,
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0
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[
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[
4.85535,
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0
],
[
1.37352,
0.80317,
2.02533
]
] |
[
true,
true,
true
] |
Co6V2
|
Co3V
|
A3B
|
[
"Co",
"V"
] |
[
0.75,
0.25
] |
[
27,
27,
27,
27,
27,
27,
23,
23
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_95"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1312029853050302187474964
|
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| 2025-04-16T17:16:57
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.862238
|
[
[
0.331965,
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0.432884
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[
0.111196,
0.17157,
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[
0.13892,
0.027221,
0.128389
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[
[
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[
0.0019330577913773037,
-0.005146873255385852,
-0.005934801367437355
]
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| null | null | null | null | null | 0.774589
| 0.30131
| null |
CO_9897221649489935935760200
|
9897221649489935935760200061433286762462217621532748013264015939719272268722548386823098674036901740337424170083579331613836656665434908902352561431540498
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|
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[
3.82537,
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7.79925
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[
[
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[
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6.15514
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[
1.89845,
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[
1.53241,
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[
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[
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[
2.30726,
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1.97411
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[
0.15212,
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7.81082
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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_7"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7633438987595455400403226
|
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| 2025-04-16T21:14:40
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.965583
|
[
[
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0.163859,
0.020331
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[
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[
0.064975,
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0.223846
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[
0.064494,
0.601661,
0.074028
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] |
[
[
0.007175051645841616,
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[
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],
[
-0.0003315489647669187,
-0.00015347870940546931,
-0.015292134264052794
]
] | true
| null | null | null | null | null | 0.705459
| 0.376141
| null |
CO_1662170028990967538293140
|
1662170028990967538293140867132402064038512476981573074155774790043148853411229531525075508662713865253332396360703900002390361975020408912491216736528864
|
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|
[
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[
-1.50533,
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[
1.26977,
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16.646
]
] |
[
[
1.56103,
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2.17449
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[
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4.15119
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[
2.54101,
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[
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[
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[
-0.2863,
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12.3696
],
[
3.06468,
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14.6258
]
] |
[
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_225"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1314505334564779691026376
|
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| 2025-04-16T18:14:37
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.470424
|
[
[
0,
0.661435,
0
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[
0,
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0.000001
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[
0,
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[
0,
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0,
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[
0,
0.842769,
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[
0,
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0.000001
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[
0,
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0.000001
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] |
[
[
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0,
0
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[
0,
-0.010809919315482249,
0
],
[
0,
0,
-0.015920716648120496
]
] | true
| null | null | null | null | null | 0.842769
| 0.458791
| null |
CO_3156703401954745971122176
|
3156703401954745971122176313564385708350994570891435758071854314519365116620918036395689598702760783711506083773127304920122658826287116204443757739489090
|
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|
[
[
3.55254,
0,
0
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[
0,
7.54589,
0
],
[
0,
0,
3.55254
]
] |
[
[
0,
3.80493,
0
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[
0,
5.53396,
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[
1.77627,
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[
1.77627,
3.87501,
1.77627
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[
1.77627,
5.53396,
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7.31358,
0
],
[
0,
2.07035,
1.77627
],
[
1.77627,
2.07035,
0
]
] |
[
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_260"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7668489722132515481912330
|
7668489722132515481912330170429705267249085298539539817477192459704382066592235822684272893430384259437508045021543405826577652161924605611946551680489584
| 2025-04-16T16:46:17
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -47.898542
|
[
[
-0.000001,
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1.070235
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[
0,
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0.000035
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[
0.000001,
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[
0,
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[
0,
0.001255,
2.239388
],
[
0,
0,
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]
] |
[
[
-0.030376738349669967,
1.2483018251766518e-7,
0
],
[
1.2483018251766518e-7,
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0.000004743546935671276
],
[
0,
0.000004743546935671276,
-0.03299542591852555
]
] | true
| null | null | null | null | null | 2.239427
| 1.10322
| null |
CO_1098775524149114089491574
|
10987755241491140894915746116529994814938020634541221202871256940866838962436444080451753623672777410061582609388741863962008935150295803663200087014993634
|
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|
[
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2.6738,
0,
0
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[
-1.3369,
2.31557,
0
],
[
0,
1.54372,
13.0989
]
] |
[
[
1.3369,
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6.54944
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[
0,
1.54372,
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[
1.3369,
2.31557,
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[
0,
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0
],
[
0,
1.54372,
4.36629
],
[
1.3369,
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_190"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_7666665930995092819404049
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| 2025-04-16T21:52:07
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -46.163139
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0,
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CO_9457197531572678956840663
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Co4V2
|
Co2V
|
A2B
|
[
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[
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[
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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_1315544497891911415707096
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| 2025-04-16T15:43:53
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -62.641704
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CO_1284419135706832451076276
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[
true,
true,
true
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Co6Nb2
|
Co3Nb
|
A3B
|
[
"Co",
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[
0.75,
0.25
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[
27,
27,
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27,
27,
27,
41,
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] | 8
| 2
| 3
|
[
1,
1,
1
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[
"CoNbV_CMS2019_259"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_7721683750102137121360499
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| 2025-04-16T16:07:32
|
DS_sn623uhg2d1b_0
| 1
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VASP
|
DFT
| -69.02511
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[
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| null | null | null | null | null | 0.512989
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CO_1019402599596800576045382
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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
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1325015339943447786525985
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| 2025-04-16T20:11:35
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.228546
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[
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0.000016,
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[
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[
0,
-3.120754562941629e-7,
0.0019724417139616274
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] | true
| null | null | null | null | null | 0.81141
| 0.374593
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CO_7634169356445896481994890
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[
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[
0,
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[
1.44253,
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[
true,
true,
true
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Co4Nb4
|
CoNb
|
AB
|
[
"Co",
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[
0.5,
0.5
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[
27,
27,
27,
27,
41,
41,
41,
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] | 8
| 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_7811351495491282471680450
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| 2025-04-16T20:25:42
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.658419
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[
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2.151967,
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[
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0.01629477029003468
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| null | null | null | null | null | 2.461988
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CO_4456536941919964696105474
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[
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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
] |
[
"CoNbV_CMS2019_103"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7883327404744294398270891
|
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| 2025-04-16T21:43:25
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.696016
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[
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[
0,
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[
0,
1.047026,
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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,
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] | true
| null | null | null | null | null | 1.047026
| 0.719225
| null |
CO_9197611263025327247165436
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9197611263025327247165436793120662677482074807314523337940655749296493054650323335378001545699341737045742044647156392453076515297071491484205010797677480
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0,
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[
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[
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[
1.44863,
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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_377"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7894396391965710056026343
|
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| 2025-04-16T21:04:14
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.132546
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[
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0.028239,
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[
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0.324713
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[
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] |
[
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0.007729984222223898
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[
0.0006330762706383389,
0.007729984222223898,
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]
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| null | null | null | null | null | 0.909367
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| null |
CO_2883461711435453922987206
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2883461711435453922987206945010569776878723061181377503008694404728272552368172791385168610084326843990128615941091455646818242420659470883933569239278064
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[
true,
true,
true
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Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
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[
0.5,
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[
27,
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] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_7870922839716703334194704
|
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| 2025-04-16T17:19:02
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.141021
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| null | null | null | null | null | 1.469829
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CO_5481919906449916991098264
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[
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[
true,
true,
true
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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,
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] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_73"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_7872491031105810320149004
|
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| 2025-04-16T21:21:56
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -52.147977
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[
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[
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0.00011977456012569971,
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| null | null | null | null | null | 0.916867
| 0.78589
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CO_8641328747143651937421701
|
8641328747143651937421701554822844021534325418822291896842688014975208945851725580879001524799847704912705026793153033317371000341978532914305632087556989
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[
0,
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0
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] |
[
true,
true,
true
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Co6Nb
|
Co6Nb
|
A6B
|
[
"Co",
"Nb"
] |
[
0.8571428571428571,
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[
27,
27,
27,
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27,
27,
41
] | 7
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_301"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1338525277242723720474794
|
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| 2025-04-16T17:59:02
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -49.475598
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[
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[
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[
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[
0.0036280644246934205,
-0.006284575538851852,
-0.014983117147230314
]
] | true
| null | null | null | null | null | 0.109222
| 0.077357
| null |
CO_6420172145274441730925234
|
6420172145274441730925234128942917965303289265475860873010693261746609609819809137403853191063645785459644103655074146754072875977221464375570358897308578
|
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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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2.39976,
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[
-4.04801,
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3.53686
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] |
[
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_376"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7909235479718446403137668
|
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| 2025-04-16T17:07:20
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.951005
|
[
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[
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[
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[
-0.229401,
0.348592,
0.355299
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] |
[
[
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[
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0.009794862686339856
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[
-0.00024504164828217673,
0.009794862686339856,
-0.0203100579408979
]
] | true
| null | null | null | null | null | 1.358608
| 0.632786
| null |
CO_8392086248054638166680887
|
8392086248054638166680887604925839178277361356058831857515240983723289785383125404903533160974490279971334817857115029498503435718720483679165644250532757
|
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|
[
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[
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[
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4.86694
]
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[
[
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[
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[
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[
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[
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] |
[
true,
true,
true
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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_347"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7929744829468927601766800
|
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| 2025-04-16T16:10:41
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.067621
|
[
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[
0,
0.000003,
2.552054
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[
0,
0.000004,
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]
] |
[
[
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0
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[
6.241509125883259e-8,
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0
],
[
0,
0,
-0.018876445709773773
]
] | true
| null | null | null | null | null | 2.552054
| 0.815632
| null |
CO_2198898954109345978437797
|
2198898954109345978437797327384540961000612576146956096511916988200354814066072424603653457239038871364370538672003601868890583292498856740861324367620816
|
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|
[
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[
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[
0,
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17.0682
]
] |
[
[
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[
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[
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12.8075
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[
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1.3066,
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2.03855
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[
0,
0,
6.48728
],
[
0,
1.50873,
10.6714
]
] |
[
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_13"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7939967980666957168860616
|
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| 2025-04-16T16:29:44
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.441162
|
[
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0.003309,
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[
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[
0.245271,
0.615145,
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[
-0.312775,
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1.168433
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] |
[
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[
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0.03182533020269621
],
[
-0.003220431463681985,
0.03182533020269621,
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]
] | true
| null | null | null | null | null | 1.359959
| 0.675981
| null |
CO_8904453621431188999396637
|
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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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[
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[
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],
[
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] |
[
true,
true,
true
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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_150"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_7987831179494294321103477
|
7987831179494294321103477661482136580766265746137318049889739907101902069004227891942125993587304694886081588843140457212386621671409761318129159887056352
| 2025-04-17T18:48:22
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.803837
|
[
[
-0.112653,
0.112649,
-0.000027
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[
-0.389788,
0.389788,
0.00002
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[
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0.332576,
0.000024
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[
0.377566,
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0.000009
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[
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0.130675,
0.000039
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[
0.496627,
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-0.000027
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[
0.190854,
-0.190853,
-0.000011
],
[
-0.099389,
0.099347,
-0.000027
]
] |
[
[
0.0004761023161223749,
0.004487145740779992,
0
],
[
0.004487145740779992,
0.0004757278255748219,
0
],
[
0,
0,
0.004644868676391062
]
] | true
| null | null | null | null | null | 0.702335
| 0.376549
| null |
CO_2340855578614990847910802
|
2340855578614990847910802948675743265754270477395173034194993200025159501940922186487422672970439855027294553910513111742237641873984597002554880539386348
|
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|
[
[
2.07649,
2.07649,
0
],
[
-8.11037,
8.11037,
0
],
[
0,
0,
3.27201
]
] |
[
[
-2.03336,
2.03336,
0
],
[
-1.96483,
4.04132,
1.636
],
[
-3.9276,
6.00409,
1.636
],
[
-6.19821,
8.2747,
1.636
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[
-0.10213,
2.17862,
1.636
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[
-3.95502,
3.95502,
0
],
[
-6.09404,
6.09404,
0
],
[
-8.0685,
8.06851,
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_166"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_7988055494530540855656220
|
7988055494530540855656220891447837722848857171521601846271749557903023732674592674344899354962886626492546691275014269557386729469744636043609512371408492
| 2025-04-16T20:33:11
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.186349
|
[
[
0,
0.849312,
0
],
[
0,
-1.08348,
0
],
[
0,
1.95889,
0
],
[
0,
0.720264,
0
],
[
0,
-1.335631,
0
],
[
0,
4.17322,
0
],
[
0,
-3.062499,
0
],
[
0,
-2.220077,
0
]
] |
[
[
-0.009422057346250848,
0,
0
],
[
0,
-0.03200826883517585,
0
],
[
0,
0,
-0.005778513978925238
]
] | true
| null | null | null | null | null | 4.17322
| 1.925422
| null |
CO_7159751243413717798362477
|
7159751243413717798362477243736703105380208020162440667915004790112042358088948901457687025265464508430202549228840152583850882329299568188871806129775752
|
6239779865123999726454937592831173287211355015248714886114772198958820815840840572359200718083690184244186315296617675412001999858234712621698100462613120
|
[
[
3.70964,
0,
0
],
[
0,
7.41928,
0
],
[
0,
0,
3.70964
]
] |
[
[
0,
3.70964,
0
],
[
0,
5.56446,
1.85482
],
[
1.85482,
1.85482,
0
],
[
1.85482,
3.70964,
1.85482
],
[
1.85482,
5.56446,
0
],
[
0,
1.85482,
1.85482
],
[
1.85482,
0,
1.85482
],
[
0,
0,
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_255"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1418607908444524107323585
|
1418607908444524107323585077106482502528623631002746661937462094243559140101939768915127692666692968576769059105594430312963788226310662486311162540029076
| 2025-04-17T18:16:17
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -22.895491
|
[
[
-0.005366,
-0.012297,
-0.216977
],
[
0.005009,
0.012091,
0.216854
],
[
0.000357,
0.000206,
0.000123
]
] |
[
[
-0.0062098646746150295,
0.0005616109911469756,
0.0009125086342041323
],
[
0.0005616109911469756,
-0.006803120117030233,
0.001069607418902614
],
[
0.0009125086342041323,
0.001069607418902614,
-0.004405569216504698
]
] | true
| null | null | null | null | null | 0.217391
| 0.145023
| null |
CO_1988348486507278224616909
|
1988348486507278224616909832316513799406697143250384715508308731455429094777276918177903503651405697318442562956861803235814834975955122124928880044651100
|
4685616757334847665669076901952363306191698300208768968888357968665819911419269335021209722961190311903147149810030284951194574552761348922591965517345745
|
[
[
2.51803,
0.003452,
0.029288
],
[
-1.25304,
2.17723,
0.014644
],
[
1.24706,
0.71999,
6.10932
]
] |
[
[
1.2471,
0.72001,
6.09208
],
[
2.51268,
1.4507,
4.12266
],
[
1.25636,
0.72536,
2.05271
]
] |
[
true,
true,
true
] |
Co2V
|
Co2V
|
A2B
|
[
"Co",
"V"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
27,
27,
23
] | 3
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_153"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|