property_id
string | property_hash
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timestamp[us] | dataset_id
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int32 | software
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int32 | nelements
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string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PO_9132471034249001715628652
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| 2025-04-16T17:45:43
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -61.348304
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Co6Nb2
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Co3Nb
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A3B
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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_9145360096651822206374204
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| 2025-04-16T15:43:51
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DS_sn623uhg2d1b_0
| 1
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VASP
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DFT
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CO_1258017520229133047176584
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true
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Co3NbV2
|
Co3NbV2
|
A3B2C
|
[
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[
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| 3
| 3
|
[
1,
1,
1
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_2643314564463825882657821
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| 2025-04-16T18:47:53
|
DS_sn623uhg2d1b_0
| 1
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VASP
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DFT
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0
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[
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0,
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| null | null | null | null | null | 2.061151
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CO_7965125695709025748026129
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[
true,
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true
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Co4Nb4
|
CoNb
|
AB
|
[
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[
0.5,
0.5
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[
27,
27,
27,
27,
41,
41,
41,
41
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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_2696112897113416013224896
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| 2025-04-16T21:12:08
|
DS_sn623uhg2d1b_0
| 1
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VASP
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DFT
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[
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CO_7048332256735053284728000
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[
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[
true,
true,
true
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Co4NbV3
|
Co4NbV3
|
A4B3C
|
[
"Co",
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"V"
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[
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0.125,
0.375
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[
27,
27,
27,
27,
41,
23,
23,
23
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| 3
| 3
|
[
1,
1,
1
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_9232989246488627531707180
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| 2025-04-16T18:52:40
|
DS_sn623uhg2d1b_0
| 1
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VASP
|
DFT
| -65.834086
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[
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| null | null | null | null | null | 0.849986
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CO_7319368345157743511969244
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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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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
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[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_224"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9232943274197395761842164
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| 2025-04-16T16:56:11
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -55.851333
|
[
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[
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0.063153
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[
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[
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0.0018886182464010152
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[
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0.0018886182464010152,
-0.0012792597104410326
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] | true
| null | null | null | null | null | 0.341265
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| null |
CO_3272766939631624391992481
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3272766939631624391992481205880882791253037332628231980139003945225322387608955897074604417101489030813719119331311502339761242600319200602515371108376619
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|
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[
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[
1.20447,
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13.876
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[
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[
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[
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[
0.07107,
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0.24417
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[
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]
] |
[
true,
true,
true
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Co4NbV2
|
Co4NbV2
|
A4B2C
|
[
"Co",
"Nb",
"V"
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[
0.5714285714285714,
0.14285714285714285,
0.2857142857142857
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[
27,
27,
27,
27,
41,
23,
23
] | 7
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_304"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9251408453101137593625973
|
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| 2025-04-16T21:21:56
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -32.31872
|
[
[
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0.000162,
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[
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0.000403
],
[
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] |
[
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[
0.000017601055734990787,
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0.013112536862203102
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| null | null | null | null | null | 0.000563
| 0.000376
| null |
CO_3557914330097139756464853
|
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[
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1.81459
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[
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0,
0
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] |
[
[
0,
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0
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[
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[
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0,
1.81459
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[
-1.81459,
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3.62919
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] |
[
true,
true,
true
] |
Co2V2
|
CoV
|
AB
|
[
"Co",
"V"
] |
[
0.5,
0.5
] |
[
27,
27,
23,
23
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_57"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9249779120575528896447902
|
9249779120575528896447902821279509620128391767487746630445338298323542601959151511634422850922812186805470893305231174780557563018549049752325301737125734
| 2025-04-16T20:04:36
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.600042
|
[
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[
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0.000675,
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[
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| null | null | null | null | null | 0.009408
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CO_8619674700660577868220695
|
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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
] |
[
27,
27,
27,
27,
41,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_280"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9281594069063341673634364
|
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| 2025-04-16T15:09:30
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -55.998426
|
[
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0.000161,
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0.000155,
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[
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[
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0.000041
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] |
[
[
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0
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0.0002338693469468457,
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0
],
[
0,
0,
-0.056893789870984986
]
] | true
| null | null | null | null | null | 0.003212
| 0.003163
| null |
CO_8404727228074885146864029
|
8404727228074885146864029118190676123738275796938857200727847206158341365270739319518358222888203384359064221594433359096765226025565425137850214646685494
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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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1.95762
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[
-2.44044,
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5.87287
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] |
[
true,
true,
true
] |
Co8
|
Co
|
A
|
[
"Co"
] |
[
1
] |
[
27,
27,
27,
27,
27,
27,
27,
27
] | 8
| 1
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_148"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9296390844342374225816026
|
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| 2025-04-16T16:08:10
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.636625
|
[
[
0.30785,
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0.535435,
0.054016,
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[
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[
0.321138,
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0.55574
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[
0.000033,
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] |
[
[
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0.004344776917618595
],
[
-0.003449182773145606,
0.004344776917618595,
-0.014199370846293151
]
] | true
| null | null | null | null | null | 0.701852
| 0.437244
| null |
CO_1043992026810600999348960
|
10439920268106009993489603711563622476490910460422910837759622302911538679400847671697667355799961199285468712367348547667074095922124027680270644341662954
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7686299088767402386113497422298201420998298070164214394420031152395270036948490711461643266156078249835013519663599379968631029975874107901826294984626024
|
[
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[
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[
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[
[
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[
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[
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[
-3.24523,
3.60587,
3.77497
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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_177"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9297956157760904386977517
|
9297956157760904386977517712295036438629692438849045104141589242213129843435778791567935578253079832693600938079630664018012015859198181981316954998521575
| 2025-04-16T17:32:29
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.556156
|
[
[
0,
0.212446,
0.260194
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[
0,
-0.343699,
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[
0,
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0.124609
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[
0,
0.027568,
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[
0,
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1.022705
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[
0,
0.03964,
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[
0,
0.105913,
-0.68467
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[
0,
-0.000647,
0.104683
]
] |
[
[
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0,
0
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[
0,
0.007253382585371452,
-0.014319082991327593
],
[
0,
-0.014319082991327593,
0.00899002008455721
]
] | true
| null | null | null | null | null | 1.155788
| 0.478108
| null |
CO_5089622009463269538655614
|
5089622009463269538655614597333309615109939740078139719489707211719266169750879363324748417517573321998540154299151135023397768015221646782744885296903944
|
4210949008892574292204257610457785926016865830183112621914719413296282546987998678955052052903794074763369013240526169816819743481170113235519659214587047
|
[
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0
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[
0,
4.26402,
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[
0,
1.35848,
8.41475
]
] |
[
[
1.48865,
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7.83434
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[
1.48865,
3.28709,
3.8091
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[
1.48865,
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6.05226
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[
0,
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[
0,
1.64985,
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[
0,
2.81977,
1.59818
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[
0,
1.1311,
4.40294
],
[
1.48865,
0.70278,
2.01765
]
] |
[
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_314"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2781645122005985824351612
|
2781645122005985824351612553640969963513157174055944629757860059816006028019312244316862337088888481260727699426751207027661394945466097120434271287138424
| 2025-04-16T21:51:46
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.317033
|
[
[
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0.502969,
0.505903
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[
0.005829,
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[
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[
0.000012,
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[
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[
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[
0.032925,
0.054004,
0.156332
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[
-0.032938,
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]
] |
[
[
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0.015595034701931909,
0.001667231917705936
],
[
0.0005624223873333403,
0.001667231917705936,
0.009752233179010073
]
] | true
| null | null | null | null | null | 0.713411
| 0.346865
| null |
CO_5381627943135221521920225
|
5381627943135221521920225183215367810838247208902526210837537078721067132506337170861382203383549164298416037183629161177339516177281025229083619738841210
|
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|
[
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[
1.33974,
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8.78127
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[
0.045282,
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0.253897
]
] |
[
[
2.7541,
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8.70397
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[
2.80363,
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4.75635
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[
1.37622,
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[
2.8015,
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[
1.41052,
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2.54484
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[
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[
1.35101,
-6.55167,
8.74535
],
[
1.44672,
-5.56153,
4.92432
]
] |
[
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_213"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9308378576684906047989737
|
9308378576684906047989737782041527770084340072883688878394054229576267436131906898908040458062080876403396729961727715480603855688359549740214843596252747
| 2025-04-16T15:44:05
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.545992
|
[
[
0.000003,
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[
-0.000006,
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0.000147
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[
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[
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[
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[
0.000062,
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[
-0.129173,
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-0.418219
],
[
0.1292,
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0.418065
]
] |
[
[
0.007071941915082025,
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[
-6.865660038471584e-7,
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],
[
-0.012818124876735188,
-3.744905475529955e-7,
0.010209423722481022
]
] | true
| null | null | null | null | null | 0.44314
| 0.278329
| null |
CO_1246690371118473789254001
|
12466903711184737892540011062938723699191893938228435805465726938134480472005160717602940487787084850691190189241901947380440454583991450309932737134561168
|
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|
[
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[
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[
2.42593,
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4.00521
]
] |
[
[
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4.20621
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[
1.17393,
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6.20879
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[
-0.15655,
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6.0045
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[
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[
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4.68068,
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[
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[
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2.31036,
3.74731
],
[
1.18081,
2.31038,
4.66509
]
] |
[
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_373"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9313698191948855053574135
|
9313698191948855053574135945860870164096891577767288337865406943221808636719217225876904065283968205107787490032457244403412936409978083322367221798335224
| 2025-04-16T21:51:00
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -61.919367
|
[
[
0,
0.000512,
0.106246
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[
0,
0.000363,
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[
0,
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0,
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[
0.000001,
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[
0,
0.000658,
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[
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[
0,
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-0.0655810343478456
]
] | true
| null | null | null | null | null | 3.235541
| 1.491918
| null |
CO_9388091095846891436576182
|
9388091095846891436576182617126990636590753903172598285735612662195576314538180428931050599738543345713725260484868947050116117976727217524565394778472697
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|
[
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0,
0
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[
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0
],
[
0,
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]
] |
[
[
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[
0,
0,
10.8093
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[
1.32386,
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[
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[
0,
1.52866,
4.3237
],
[
0,
0,
0
],
[
0,
0,
6.48555
]
] |
[
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_283"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2812097978576352450697797
|
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| 2025-04-16T17:26:48
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.396562
|
[
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2.541447,
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[
0,
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[
0.000001,
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[
0.000004,
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] |
[
[
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0
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[
1.2483018251766518e-7,
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-5.617358213294933e-7
],
[
0,
-5.617358213294933e-7,
0.006348925497939709
]
] | true
| null | null | null | null | null | 2.541447
| 1.275843
| null |
CO_5418611318081414629971679
|
5418611318081414629971679919258242473394014435093884785381214718822547440537259797909733622346259925373909385109886555861198265220913384550979228664821628
|
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|
[
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0
],
[
0,
8.49512,
0
],
[
0,
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4.28529
]
] |
[
[
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0
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[
1.50425,
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0.00001
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[
1.50425,
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[
0,
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[
0,
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[
1.50425,
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2.14262
],
[
0,
7.12914,
2.14264
],
[
0,
0.64998,
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_371"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9333072621048588605699823
|
9333072621048588605699823338795456978695293079738415450075182010365588747876745610187830604155636272734580324932776713364540420349074728967447071560682031
| 2025-04-16T18:12:42
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -70.066399
|
[
[
-0.033383,
0.503728,
0.000035
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[
0.263941,
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0.000036
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[
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[
0.124699,
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[
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[
0.16069,
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[
-0.222195,
0.496967,
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],
[
0.139099,
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-0.000028
]
] |
[
[
0.02401888749368025,
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0
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[
-0.0013675770645722807,
0.02179179220738258,
0
],
[
0,
0,
0.04131080128166603
]
] | true
| null | null | null | null | null | 0.608721
| 0.496378
| null |
CO_1217879453006213069684452
|
12178794530062130696844524022367123386728267925225464936130516577143590026583043294763086834514080086661001138251889379981697846280112719894318806854527101
|
9905023740200806176356588525072303999109588583982764923176940125113646722347786369549575969046557043925142751522144159506287952433250767558508681499956757
|
[
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[
2.2169,
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0
],
[
2.65607,
6.93212,
0
]
] |
[
[
2.88848,
6.13586,
0
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[
2.16355,
1.48731,
0
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[
0.96637,
2.38587,
2.13131
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[
2.8929,
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2.13131
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[
1.56421,
4.01164,
0
],
[
1.86736,
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0
],
[
3.4925,
2.08823,
2.13131
],
[
1.58603,
-0.15934,
2.13131
]
] |
[
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_286"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2818758115307845248165867
|
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| 2025-04-17T18:37:27
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.399955
|
[
[
-0.085811,
0.216959,
-0.000027
],
[
0.145014,
-0.182781,
-0.000027
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[
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[
0.088803,
0.051322,
0.000015
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[
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[
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1.741692,
0.000057
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[
-0.292064,
-0.168686,
0.000023
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[
1.32676,
-1.185394,
0.000057
]
] |
[
[
-0.008218569556598039,
0.011642037312145005,
0
],
[
0.011642037312145005,
-0.02166215606283799,
0
],
[
0,
0,
0.008407999358568596
]
] | true
| null | null | null | null | null | 1.779171
| 0.676384
| null |
CO_1142000647661777615393980
|
11420006476617776153939807160782684268886231320647763146486086073100168414595459193428511890781340218944893352825186133621289376892592847437870541747840170
|
8759020412385272437289007541620622718754077703518101948317918015214923911204858264650759824380051193997266043270359218743084234331913042667356727797232442
|
[
[
0,
0,
4.40607
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[
4.03246,
2.32814,
0
],
[
-2.76582,
4.79054,
0
]
] |
[
[
1.29774,
6.90846,
0
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[
2.48304,
4.85545,
0
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[
0.09038,
4.84272,
0
],
[
1.26808,
5.52266,
2.20303
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[
1.13315,
2.25107,
0
],
[
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2.20303
],
[
2.82641,
3.22868,
2.20303
],
[
-0.10512,
3.33129,
2.20303
]
] |
[
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_351"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9361376258887119096259365
|
9361376258887119096259365766745134774443071478909611223639285775299448125442915278833992396622744356273521732642034535605351979697072143551279162241915846
| 2025-04-16T17:25:54
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.936391
|
[
[
-0.000019,
-0.147598,
-0.000012
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[
-0.000019,
-0.147591,
0.000044
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[
0.000019,
0.147492,
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[
0.000019,
0.147498,
0.000012
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[
0.000011,
0.373952,
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[
0.000011,
0.373958,
0.000049
],
[
-0.000011,
-0.373859,
-0.000047
],
[
-0.000011,
-0.373852,
0.000015
]
] |
[
[
0.0006783896268922513,
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0
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[
-1.2483018251766518e-7,
-0.038636689111772614,
-1.2483018251766518e-7
],
[
0,
-1.2483018251766518e-7,
-0.00026039576073184955
]
] | true
| null | null | null | null | null | 0.373958
| 0.260725
| null |
CO_1282448747963960830532060
|
12824487479639608305320607961065429942184834433674822990374077570287263719573062669761333275468651583268311545848138090004779090482400258111368868091226713
|
12944728059869587835782655991144601986972601070997747358553212041078236447827896459874570597069662111964739042896447307945409226240453030519890205432968746
|
[
[
2.53575,
0,
0
],
[
0,
4.41683,
0
],
[
0,
0,
8.34991
]
] |
[
[
0,
4.27152,
0
],
[
0,
4.27152,
4.17495
],
[
1.26787,
0.88146,
2.08748
],
[
1.26787,
0.88146,
6.26243
],
[
1.26787,
1.96878,
0
],
[
1.26787,
1.96878,
4.17495
],
[
0,
3.18419,
2.08748
],
[
0,
3.18419,
6.26243
]
] |
[
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_60"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_2873964694730325583730101
|
2873964694730325583730101929009786911060350427150512690927765058230140713046910251965582230421296603222951267826715816452626158069499185271932886688994893
| 2025-04-16T16:26:57
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.641045
|
[
[
0.223779,
-0.267236,
0.000023
],
[
-0.295957,
-0.470403,
0.000012
],
[
0.114439,
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[
0.558144,
0.000827,
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],
[
-0.665222,
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0.000044
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[
0.5892,
0.412913,
-0.000044
],
[
-0.3282,
0.446602,
0.000024
],
[
-0.196183,
0.499338,
-0.000024
]
] |
[
[
-0.013848036297597186,
0.006290317727247665,
0
],
[
0.006290317727247665,
-0.022370692178808254,
0
],
[
0,
0,
0.0002542790817884839
]
] | true
| null | null | null | null | null | 0.726029
| 0.543637
| null |
CO_1100591739298809450476723
|
11005917392988094504767231826785433588017064049346460711111124760310084130539299909273968369272754582411610256604719734687723022361585979362132925801050287
|
4875616472537077235419213350316958810732779033063718731391017848749321421688125489092900092584579825109970222807696287760762173491772791400607863533725805
|
[
[
0,
0,
4.35909
],
[
2.62346,
-4.56775,
0
],
[
2.6163,
4.53016,
0
]
] |
[
[
3.90114,
-2.27205,
0
],
[
1.30391,
-2.24408,
0
],
[
3.9179,
0.77134,
2.17955
],
[
2.58963,
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2.17955
],
[
5.07946,
0.00366,
0
],
[
1.35384,
0.9087,
2.17955
],
[
2.5455,
-0.28868,
0
],
[
2.88872,
2.94228,
2.17955
]
] |
[
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_320"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_2870457650805686809068987
|
2870457650805686809068987380963855272783924775200325338335359037977876322963216654069876056654304202698494141491620461768626835270763740754808856665120404
| 2025-04-17T17:45:49
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -50.09717
|
[
[
-0.640134,
1.234475,
0.000034
],
[
0.112438,
-0.929661,
-0.000026
],
[
0.305192,
0.152542,
-0.000029
],
[
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1.318712,
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[
0.837415,
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[
-0.347824,
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0.000048
]
] |
[
[
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0.007905308213569958,
6.241509125883259e-8
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[
0.007905308213569958,
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],
[
6.241509125883259e-8,
-1.2483018251766518e-7,
0.007110951347118795
]
] | true
| null | null | null | null | null | 1.464717
| 1.064546
| null |
CO_1164830569699172964253195
|
11648305696991729642531956560877141251185699168909667046189389481436400440938195137422674170578637670833391408991936169335978297653299719673812654198241437
|
2091729615501368086899715555633127634159419096313447786571235611524016297648791338897497685561391313715514943955991581960671789848212031436428763114800618
|
[
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0
],
[
1.18724,
6.3184,
0
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[
0,
0,
4.25975
]
] |
[
[
1.47542,
2.27647,
0
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[
2.8807,
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2.12988
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[
1.21477,
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2.12988
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[
2.8559,
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0
],
[
1.43532,
0.60041,
2.12988
],
[
3.05269,
0.7254,
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_52"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_2892035408749256856376294
|
2892035408749256856376294453074348341843083040730467904738172201148678850962405389450173248194018046510345790277578802673449615125185949470420541044800743
| 2025-04-16T21:13:01
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -50.753836
|
[
[
0.154402,
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0.000041
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[
0.44056,
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[
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0.000032
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[
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0.259714,
-0.000039
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[
0.039504,
0.617234,
0.000031
]
] |
[
[
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0
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[
-0.0035545394471905153,
0.02923341870799067,
-1.2483018251766518e-7
],
[
0,
-1.2483018251766518e-7,
-0.014399223968503934
]
] | true
| null | null | null | null | null | 0.640419
| 0.473942
| null |
CO_1220601677292244147330788
|
12206016772922441473307883058786081700022462007789244170188286561291593757564913548744187815473928220038573682270072783690962648130384628856846931258126697
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|
[
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0
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[
1.55633,
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0
],
[
0,
0,
3.58447
]
] |
[
[
1.13368,
2.64423,
0
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[
1.42539,
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1.79224
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[
1.99495,
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1.79224
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[
3.70908,
6.10768,
0
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[
2.55937,
3.66854,
1.79224
],
[
3.03653,
1.06373,
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_282"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_2895955003388516726755558
|
289595500338851672675555818179983233894705950342812676037115678026639713392611962034144569847611481292090133931021399611242995761917710312882280042109548
| 2025-04-16T21:12:08
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -48.41289
|
[
[
-0.000017,
0.200589,
-0.572601
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[
0.000013,
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-0.266851
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[
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0.330841,
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],
[
0.000018,
0.041995,
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],
[
-0.000016,
0.69351,
2.46709
],
[
0.000017,
-0.999378,
1.273523
]
] |
[
[
-0.009460629872648807,
6.241509125883259e-8,
0
],
[
6.241509125883259e-8,
0.005530289160988861,
0.00284856234996186
],
[
0,
0.00284856234996186,
0.0017296470089647683
]
] | true
| null | null | null | null | null | 2.562711
| 1.356792
| null |
CO_7534977098432183571865944
|
7534977098432183571865944638578395934268090951322668893146428080597249503248033251805449215258812725803631973488213329918610540903467729070610536448229119
|
3348730094632751797759265986028150332507137504951599078663633782579865489731100035108402498164431491213662561717150294399090350237136564630256953446669413
|
[
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2.62111,
0,
0
],
[
0,
-1.5133,
6.42039
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[
0,
-4.5399,
0
]
] |
[
[
1.31056,
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0
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[
0,
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4.28026
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[
1.31056,
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4.28026
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[
0,
0,
0
],
[
1.31056,
-3.78325,
2.14013
],
[
0,
-1.5133,
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_298"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_2881823521629818047042815
|
2881823521629818047042815590203201586877677028725995207258745642008887772029421928184930704204851077228722348113494068488237493290320551487596881039978156
| 2025-04-16T17:10:24
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -32.370885
|
[
[
0.007171,
0.00005,
0.007172
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[
-0.007218,
-0.00005,
-0.007219
],
[
0.007499,
0.000064,
0.007501
],
[
-0.007452,
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-0.007454
]
] |
[
[
-0.007671251621349336,
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0.004022153310901689
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[
-0.0013608986498075857,
-0.0031489037690993625,
0.0013608986498075857
],
[
0.004022153310901689,
0.0013608986498075857,
-0.007670877130801782
]
] | true
| null | null | null | null | null | 0.010607
| 0.010374
| null |
CO_6517922765830778130349901
|
6517922765830778130349901768705059479780913226820894611613645895800473575689070224601939608243198242491537381685991317124806308798266084313061171210884994
|
1644229043561685702934888487413061511133964946623720720644202796324227263062715029921114042733818162759880962211828949918300890266842519041925669874483863
|
[
[
0.037148,
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3.46849
],
[
-1.85785,
3.72511,
1.85785
],
[
-3.46849,
-0.103687,
-0.037148
]
] |
[
[
-5.32451,
3.62142,
1.82253
],
[
-3.52283,
1.75887,
1.76636
],
[
-3.57199,
3.62142,
3.57505
],
[
-1.76972,
1.75887,
3.51947
]
] |
[
true,
true,
true
] |
Co2V2
|
CoV
|
AB
|
[
"Co",
"V"
] |
[
0.5,
0.5
] |
[
27,
27,
23,
23
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_182"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_2903437414091632046729435
|
2903437414091632046729435053390509870952053577882057708479469171613231613311621357985581928242204633766385691338496127525490683074142521429499826696388151
| 2025-04-16T18:15:45
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.489619
|
[
[
-0.905367,
0.905342,
-0.201728
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[
0.905332,
-0.905269,
0.201785
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[
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0.598314,
0.744975
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[
0.598353,
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[
-0.485765,
0.485796,
0.599598
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[
0.485746,
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[
-0.28482,
0.284861,
0.384046
],
[
0.284889,
-0.284878,
-0.384028
]
] |
[
[
-0.009758724348500992,
-0.00379596102017968,
0.020372660277430506
],
[
-0.00379596102017968,
-0.009758474688135956,
-0.02037234820197421
],
[
0.020372660277430506,
-0.02037234820197421,
-0.0008648859195736431
]
] | true
| null | null | null | null | null | 1.296159
| 0.972995
| null |
CO_4701594296340309141118911
|
4701594296340309141118911781448294369469896315065576435003886368985585612845608067898325824784116293897891401935874467305835243789383491015440505583272054
|
13188516038797248992930748321495423361149728929021156211465970251163891479616332856492464360952426056583322791659726063306383472106657580932480054379464405
|
[
[
2.0601,
2.0601,
0
],
[
-5.60342,
5.60342,
3.68
],
[
1.83823,
-1.83823,
3.38868
]
] |
[
[
-3.58507,
5.64518,
4.8303
],
[
-0.09136,
0.09136,
4.00555
],
[
-1.70054,
3.76065,
2.00962
],
[
-3.81412,
3.81413,
3.43756
],
[
-3.95391,
3.95391,
6.65074
],
[
0.27748,
1.78263,
2.18511
],
[
-1.89281,
1.89281,
3.72827
],
[
-1.78363,
3.84373,
5.10758
]
] |
[
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_22"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_2924033857245920011683198
|
2924033857245920011683198545486576747939253400912437268646573696734583935762780584446495070917285840779302568682854141537630552522367283433921424553734099
| 2025-04-16T19:01:13
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.224806
|
[
[
-0.457101,
0.457916,
-0.529174
],
[
-0.278673,
0.280068,
-1.554496
],
[
0.278671,
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1.554482
],
[
0.457097,
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0.529194
],
[
-1.194571,
1.198041,
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],
[
-0.000024,
0.000017,
0.000011
],
[
1.19459,
-1.198061,
4.729323
],
[
0.000011,
-0.000018,
0.000013
]
] |
[
[
-0.02910964958202441,
-0.0001569115394247051,
-0.0003934023202044218
],
[
-0.0001569115394247051,
-0.02915352739117937,
0.0005017549186297551
],
[
-0.0003934023202044218,
0.0005017549186297551,
-0.031128840199338904
]
] | true
| null | null | null | null | null | 5.022855
| 1.865661
| null |
CO_9118031156992016320672192
|
9118031156992016320672192192944566469306246812887225781530330031039511863816635426667834151264643416628956113228441335023575202670074152487044742538511100
|
8726301242135960632047828555231768709308986500017123137386946574980096649299238310544165802431860590894417641403520412651422350992577102272004889673674109
|
[
[
1.89975,
1.89975,
0
],
[
-3.79949,
1.89975,
1.89975
],
[
3.79949,
-3.79949,
7.59898
]
] |
[
[
0,
1.89975,
1.89975
],
[
1.89975,
0,
1.89975
],
[
3.79949,
-1.89975,
5.69924
],
[
1.89975,
-1.89975,
7.59898
],
[
0,
0,
3.79949
],
[
0.00001,
1.89975,
5.69924
],
[
1.89975,
0,
5.69924
],
[
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_125"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_2948159704497382801403153
|
2948159704497382801403153809911440158031521821932636266549008323596262837150930080446473169971516423642838717865872579261539927781616273905140694432534419
| 2025-04-16T20:48:59
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.6144
|
[
[
0,
0,
2.041834
],
[
0,
0,
-0.584504
],
[
0,
0,
0.584402
],
[
0,
0,
-2.041784
],
[
0,
0,
-1.311086
],
[
0,
0,
1.311492
],
[
0,
0,
-0.000354
],
[
0,
0,
0
]
] |
[
[
-0.016363676550784433,
0,
0
],
[
0,
-0.016363676550784433,
0
],
[
0,
0,
-0.025338092862526935
]
] | true
| null | null | null | null | null | 2.041834
| 0.984432
| null |
CO_4620242713343096706657601
|
462024271334309670665760132709805411866736547747731775573550728976296830499495074574692235982006144996062379052228633072530674217609464851355454702481813
|
8621946428739548097542330895949131829064282248866846160640657020132013651955248878474188029531921064710353742065557993946203810563721811016571342420765656
|
[
[
1.87867,
1.87867,
0
],
[
-1.87867,
1.87867,
0
],
[
0,
0,
15.02
]
] |
[
[
0,
1.87867,
5.67741
],
[
0,
0,
7.50506
],
[
0,
0,
11.2699
],
[
0,
1.87867,
13.0975
],
[
0,
0,
14.9467
],
[
0,
0,
3.82822
],
[
0,
1.87867,
1.87749
],
[
0,
1.87867,
9.38747
]
] |
[
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_51"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_9474845163685157331534097
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| 2025-04-16T21:29:37
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -46.470342
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[
0,
1.2483018251766518e-7,
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| null | null | null | null | null | 1.698273
| 1.313056
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CO_4515799031061733683647951
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[
0,
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0
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[
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[
true,
true,
true
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Co4Nb2
|
Co2Nb
|
A2B
|
[
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[
0.6666666666666666,
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[
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41,
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| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_243"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_3006469347674972661281041
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| 2025-04-16T21:43:16
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.116519
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0
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[
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0,
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| null | null | null | null | null | 0.55615
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CO_1289629517973160497472158
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[
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[
true,
true,
true
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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
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[
0.5,
0.25,
0.25
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[
27,
27,
27,
27,
41,
41,
23,
23
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| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_134"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_9578032772602967685323249
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| 2025-04-16T21:43:25
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.46148
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[
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0
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[
0,
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0
],
[
0,
0,
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| null | null | null | null | null | 0.239565
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CO_8288711422471887689844410
|
8288711422471887689844410153441364251317399120641057021349122681060074666720673461329335524241255217504892249177132257387117408467217463183871462621752269
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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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0
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[
1.81844,
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1.81844
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[
true,
true,
true
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Co5NbV2
|
Co5NbV2
|
A5B2C
|
[
"Co",
"Nb",
"V"
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[
0.625,
0.125,
0.25
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[
27,
27,
27,
27,
27,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
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[
"CoNbV_CMS2019_96"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_9596429349771466829618378
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| 2025-04-16T17:54:28
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -51.36048
|
[
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0.066771,
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[
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[
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[
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[
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0.034069
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[
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[
0.0003699342458911007,
-0.0018102873068711802,
0.003691228497047359
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] | true
| null | null | null | null | null | 0.340633
| 0.257916
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CO_6782830545807597689621089
|
6782830545807597689621089379055903020942050281353178860828507303168947514436976505691414087298438814778956406124492768215713382982180026481519060858545389
|
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[
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[
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[
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[
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[
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[
1.29237,
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2.43286
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[
-0.08484,
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6.83455
]
] |
[
true,
true,
true
] |
Co3Nb3
|
CoNb
|
AB
|
[
"Co",
"Nb"
] |
[
0.5,
0.5
] |
[
27,
27,
27,
41,
41,
41
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_268"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_3079467054637788039698562
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| 2025-04-16T18:16:20
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.097167
|
[
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0.019607,
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0.399705
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0.192465,
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0.20131
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[
0.136763,
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[
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],
[
0.007677617960657736,
-0.0025105222157040226,
-0.004807772064576615
]
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| null | null | null | null | null | 0.665314
| 0.336529
| null |
CO_3520659130193892733855883
|
352065913019389273385588318872608016798091559339648254861023405739078064371661397106945266243547375720074015565575594576135846731707679283185032280345367
|
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|
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[
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[
1.20089,
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15.683
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[
[
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[
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[
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[
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[
0.3964,
1.58584,
11.7752
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[
2.17224,
0.56208,
13.8972
]
] |
[
true,
true,
true
] |
Co4V4
|
CoV
|
AB
|
[
"Co",
"V"
] |
[
0.5,
0.5
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[
27,
27,
27,
27,
23,
23,
23,
23
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_8"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9611634355985274291495571
|
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| 2025-04-16T17:09:42
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.254624
|
[
[
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0.240433,
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[
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[
0.046671,
0.32349,
0.103744
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[
0.321124,
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0.182482
]
] |
[
[
0.0025939711927170823,
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0.0032890256489754416
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[
0.0001626537278205177,
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],
[
0.0032890256489754416,
-0.0026797919431979767,
0.0070936623668401
]
] | true
| null | null | null | null | null | 0.683261
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| null |
CO_3941317319684784941952624
|
3941317319684784941952624272323416475027319108898233185241635734892503966182025672367706651236318149807955641162108634965784914291509664419108118674174008
|
5125081639190396381894905075905629329428610160612840768791053557420226221427250205543467992531860518326980736606745903417524646602614736153174403949610688
|
[
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[
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[
2.71394,
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4.42474
]
] |
[
[
1.32868,
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6.48559
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[
1.29557,
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[
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[
0.11367,
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[
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[
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3.16435,
6.51411
],
[
-0.04846,
0.0111,
0.37522
]
] |
[
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_234"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_3121927955682402814295390
|
3121927955682402814295390442646759716730587783989643502435136537798855961283687157837060615836367946926348854419988340154876632400869074343924369970939232
| 2025-04-17T18:48:22
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.400138
|
[
[
0.467992,
0.270173,
0.000103
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[
0.350985,
0.37345,
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[
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[
0.498934,
0.117254,
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[
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0.000158
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[
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[
0.434301,
0.250731,
0.000069
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[
0.573103,
0.33088,
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]
] |
[
[
0.008796408471472311,
0.004564103548302132,
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[
0.004564103548302132,
0.0035262029957590056,
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],
[
-1.2483018251766518e-7,
-6.241509125883259e-8,
-0.014551391960992968
]
] | true
| null | null | null | null | null | 1.156552
| 0.689403
| null |
CO_1184167240494337756946954
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11841672404943377569469547349143840204012504868332310114588689783024700250268838723873519289865826356470395907917604917371555122355794647933405907143783710
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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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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_358"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9658474439290372814489607
|
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| 2025-04-16T16:44:56
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.433971
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[
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0,
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[
0,
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-0.015620125568617959
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] | true
| null | null | null | null | null | 0.359929
| 0.180557
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CO_7995570874980046194201700
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7995570874980046194201700394869821060049624541191414681532673864561180550594058817694193791191496890534428037441335795917701317354320477068327904570092969
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0,
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0
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0,
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[
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[
0,
3.03438,
2.02254
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[
1.41505,
0.75852,
6.06759
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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_208"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9664184298560852392818006
|
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| 2025-04-16T22:04:30
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.509437
|
[
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0.166429,
0.561794,
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[
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[
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[
0.00512,
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[
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],
[
0.00837354622819372,
-0.007626562416008012,
-0.007609211020638057
]
] | true
| null | null | null | null | null | 0.66435
| 0.497193
| null |
CO_4058813428041215043545635
|
4058813428041215043545635632585744436049739330404738036787560004587318008804626874281765600031588174295894089873050406560065355490647951157727326492460757
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[
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[
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[
0.00564,
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[
1.21007,
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6.01785
]
] |
[
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_287"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9677607640401065910359011
|
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| 2025-04-16T16:50:24
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -47.717487
|
[
[
0,
0.000096,
0.300797
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[
0,
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[
0,
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[
0,
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[
0,
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5.008042
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[
0.000001,
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] |
[
[
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1.2483018251766518e-7,
0
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[
1.2483018251766518e-7,
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-0.000007052905312248081
],
[
0,
-0.000007052905312248081,
-0.031822646353772084
]
] | true
| null | null | null | null | null | 5.008042
| 2.058636
| null |
CO_7974230781537504590545938
|
7974230781537504590545938507154088432563455074143120455349435027991499537872970833172499406689819712117761356369669672386841472349416665493224125998621818
|
2134214821110213266008537006914276931703367274760939715206666671488183856016027657904664508571111701359536300758215484138349700753532612929345845841040434
|
[
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0
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[
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2.31557,
0
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[
0,
1.54372,
13.0989
]
] |
[
[
1.3369,
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2.18315
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[
0,
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4.36629
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[
1.3369,
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10.9157
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[
1.3369,
0.77186,
6.54944
],
[
0,
1.54372,
8.73258
],
[
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_37"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_3160746132610115519037056
|
3160746132610115519037056159652243907906347017310637908848328868892562690627018985744708999927413300596834452199847930772346461477057097618122352713709716
| 2025-04-16T21:52:07
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -47.620427
|
[
[
-0.790248,
0.790235,
0.000024
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[
0.000015,
0.000013,
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[
0.790237,
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0.000024
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[
0.000005,
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[
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2.4657,
-0.000055
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[
2.465692,
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-0.000055
]
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[
[
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0.0032155006714725365,
0
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[
0.0032155006714725365,
-0.02715880348963834,
0
],
[
0,
0,
-0.004127197909490304
]
] | true
| null | null | null | null | null | 3.487026
| 1.534883
| null |
CO_3570628456484009185493335
|
3570628456484009185493335758450442126092602580010449688364685602803559643994589075734643300377572122864974178670746993719281057335199484178801096520768513
|
2627752158940153235030931529843813873753384048014002517871074756034788193674272528929016718702593046402875477294526876556097642676043777328989784655317324
|
[
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0
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[
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5.56022,
0
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[
0,
0,
3.70681
]
] |
[
[
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0
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[
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3.70681,
1.85341
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[
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3.70681,
0
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[
0,
0,
0
],
[
0,
1.85341,
1.85341
],
[
-3.70681,
5.56022,
1.85341
]
] |
[
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_128"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_3770825638530477596796794
|
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| 2025-04-17T18:48:22
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.548267
|
[
[
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0.489578
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[
0.157924,
0.186874,
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[
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0.100982,
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[
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0.250943
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[
-0.004873,
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] |
[
[
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[
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0.013410568922964028
],
[
0.0006880639660373704,
0.013410568922964028,
-0.023223407155586427
]
] | true
| null | null | null | null | null | 0.708941
| 0.441924
| null |
CO_3733176858837722503147714
|
3733176858837722503147714019449699967300600727274558612808128654788641381207055550242327508671250626448133171708224932868905673953167319536496200746969691
|
8451581687189326240667880085000735445580875818435347115378209776815490531933656728592025876557561370003397547258920124570155276240753121506798243362716516
|
[
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[
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2.27954,
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[
1.18623,
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15.644
]
] |
[
[
1.64671,
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[
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3.85105
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[
1.41958,
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[
2.83465,
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13.4783
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[
1.25144,
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15.5429
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[
2.95144,
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6.01348
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[
2.95474,
0.17938,
9.79954
],
[
1.33784,
0.2198,
11.7244
]
] |
[
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_180"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_3832899008345282133109141
|
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| 2025-04-16T20:20:36
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.730278
|
[
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0,
0.629318
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[
0.000011,
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[
0.628724,
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[
0.00001,
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[
0.000002,
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[
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[
0.799533,
0,
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[
0.000005,
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]
] |
[
[
0.00024029810134650542,
0,
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[
0,
-0.018744125716305047,
0
],
[
0.013906893728654264,
0,
0.00019354919799363982
]
] | true
| null | null | null | null | null | 1.129929
| 0.505152
| null |
CO_1631833389612499452201953
|
1631833389612499452201953363733521018828297317355231613434450342936373729439021986430359557755568266191557334101060012496081300295344561633344314100217809
|
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|
[
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[
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3.853,
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[
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]
] |
[
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[
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0
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[
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[
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0
],
[
-1.9265,
3.853,
1.9265
],
[
-3.853,
1.9265,
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_17"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_9831248374515653679590919
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| 2025-04-16T16:24:43
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.336015
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[
0,
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0
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[
0.0016030067888005972,
0,
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| null | null | null | null | null | 0.889726
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CO_1188172154509026847267287
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[
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[
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[
true,
true,
true
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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
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[
0.5,
0.25,
0.25
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[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_265"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_3899418089710561468965928
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| 2025-04-16T18:47:00
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -62.982465
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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,
-3.744905475529955e-7,
-0.004873869646219719
]
] | true
| null | null | null | null | null | 0.860294
| 0.337202
| null |
CO_1180425098409703247304454
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11804250984097032473044546856089731382625539259674898572560543135697556884183661769459851854255394057768861252167258542936523156748652706229610179428288998
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0
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[
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0
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[
0,
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[
0,
3.3934,
2.11416
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[
0,
8.67671,
0
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[
true,
true,
true
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Co5Nb2V
|
Co5Nb2V
|
A5B2C
|
[
"Co",
"Nb",
"V"
] |
[
0.625,
0.25,
0.125
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[
27,
27,
27,
27,
27,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
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[
"CoNbV_CMS2019_202"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9872214322611736776814737
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| 2025-04-16T16:59:46
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -30.744355
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[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
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0
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[
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0,
0
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[
0,
0.0094450260998341,
0
],
[
0,
0,
0.009445400590381651
]
] | true
| null | null | null | null | null | 0.000001
| 0
| null |
CO_4716642571034501945875698
|
4716642571034501945875698913440163222521044757818613051365259958758197365211181981680215479594313531742127523471738748986087984437453697469629057215093764
|
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|
[
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0
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[
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0,
0
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[
0,
0,
3.55426
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[
[
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[
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0,
1.77713
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[
-1.77713,
1.77713,
0
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Co3V
|
Co3V
|
A3B
|
[
"Co",
"V"
] |
[
0.75,
0.25
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[
27,
27,
27,
23
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_106"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_9856355388798112137066576
|
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| 2025-04-16T18:25:21
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.541017
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[
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0,
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0.604036,
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[
0,
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[
0,
0.081975,
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[
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0
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[
0,
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0
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[
0,
0,
-0.01634064538210992
]
] | true
| null | null | null | null | null | 1.189485
| 0.468874
| null |
CO_1097535163790856732854202
|
10975351637908567328542026670362744956975106981260323038528173802350040325227969668577570309944223602831930703802531359123595867928517619204638723969508950
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|
[
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2.75722,
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0
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[
0,
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0
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[
0,
0,
4.14318
]
] |
[
[
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0
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[
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4.31034,
0
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[
0,
3.01678,
2.07159
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[
1.37861,
4.98641,
2.07159
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[
0,
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[
1.37861,
6.51649,
0
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[
1.37861,
0.66056,
2.07159
],
[
0,
0.31843,
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_63"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_3915204799404121787524876
|
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| 2025-04-16T15:43:48
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.584944
|
[
[
0.000008,
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[
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0.032312,
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[
0.38592,
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[
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0.38594,
0.062458
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[
[
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[
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0.0013076585769638013
],
[
-0.001307783407146319,
0.0013076585769638013,
0.01657183088013264
]
] | true
| null | null | null | null | null | 0.549354
| 0.366589
| null |
CO_6324735234367246825182456
|
6324735234367246825182456466493906834978063879198766980956625891030823089291672790680954349544438243682451204526390026036795543169587181574914703408538981
|
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|
[
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0
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[
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3.78211,
0.212885
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[
-1.74787,
1.74787,
7.00422
]
] |
[
[
0.11321,
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1.77767
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[
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[
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[
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[
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[
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3.9155,
5.34143
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[
-3.43394,
5.47983,
5.43101
]
] |
[
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_375"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_9874335897623992148816942
|
9874335897623992148816942129998597755433470991776090937701667480555518170937831080931575760670060846721778406670939377185230678127413106881942767003874153
| 2025-04-16T18:44:29
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -48.947312
|
[
[
1.113339,
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[
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[
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[
0.000331,
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[
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0.059245
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[
0.059245,
0.000159,
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]
] |
[
[
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[
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0.009009805668486259,
-0.009319446936221326
],
[
-0.0015019567560525472,
-0.009319446936221326,
-0.014118980208751776
]
] | true
| null | null | null | null | null | 1.574531
| 0.552922
| null |
CO_1215621701302234881395682
|
12156217013022348813956822052866610635618904834539334926115280717246147193439688135216225108118069344588934571049643112683461891421227009628109867992825612
|
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|
[
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[
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2.22417
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[
-2.22417,
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4.3257
]
] |
[
[
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2.16703
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[
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4.13165
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[
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6.09623
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[
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[
-0.46998,
2.99826,
3.89677
],
[
-2.6531,
2.99826,
6.07989
]
] |
[
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_116"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_3954023952273443267966112
|
3954023952273443267966112413395655149687741860376403539099182481076699547169976406864148366723872350133423501301504806188352672574622367386267075570615768
| 2025-04-16T16:08:14
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.027742
|
[
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0.003085,
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[
0.002875,
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0.000098
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[
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[
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0.000048
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[
0.094244,
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0.142466
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[
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0.057679,
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[
-0.094478,
0.094493,
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[
0.057877,
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0.089531
]
] |
[
[
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[
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0.055979159123678054
],
[
-0.055979159123678054,
0.055979159123678054,
-0.008985963103625386
]
] | true
| null | null | null | null | null | 0.195128
| 0.081194
| null |
CO_4403949513127280063842999
|
440394951312728006384299900471352359288447752663627076752101022548015045064582904770612254701683608944454315412319578880904489442658932575395908203138826
|
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|
[
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0
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[
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3.64959
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[
1.80426,
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2.748
]
] |
[
[
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[
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1.98336,
3.19887
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[
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5.02353
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[
0.12994,
2.29214,
4.57273
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[
0.2169,
2.20516,
1.59534
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[
-1.76244,
4.18451,
4.80066
],
[
-0.08703,
0.08703,
2.97746
],
[
-3.87854,
3.87855,
3.42173
]
] |
[
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_252"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_9897151070198656090078233
|
9897151070198656090078233630646989821615161790001993047796132795883573215773513646380936393701476448362482193793252059411336935913458958411529901776794513
| 2025-04-16T17:47:45
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.151943
|
[
[
0,
0.052111,
0.393704
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[
0,
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0.598012
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[
0,
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[
0,
0.141284,
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[
0,
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[
0,
0.068285,
0.012524
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[
0,
-0.068179,
0.009007
],
[
0,
0.011366,
-0.002792
]
] |
[
[
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0,
0
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[
0,
0.047644435082247326,
-0.014958900091821886
],
[
0,
-0.014958900091821886,
-0.031293303964805924
]
] | true
| null | null | null | null | null | 0.633877
| 0.275773
| null |
CO_9329183341582239157422761
|
932918334158223915742276167250581793495281258160023305493869381374655425853914894659826568012055666903983484386052217565359705796663114689661405202899829
|
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|
[
[
3.17274,
0,
0
],
[
0,
4.86172,
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],
[
0,
-0.048977,
7.26236
]
] |
[
[
0,
0.68458,
0.05022
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[
1.58637,
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[
0,
0.91109,
3.47836
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[
1.58637,
3.63914,
3.44154
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[
0,
3.2299,
1.60973
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[
1.58637,
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5.39539
],
[
0,
3.20742,
5.24092
],
[
1.58637,
0.79706,
1.76431
]
] |
[
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_327"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_9925830155190960793415481
|
9925830155190960793415481541116325204856540500903717238090602140376520872359130795684080014285111350530771279928389615584365778987123551626752822965112089
| 2025-04-16T16:33:14
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -48.431652
|
[
[
0,
0,
1.618858
],
[
0,
0,
0.000028
],
[
0,
0,
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[
0,
0,
1.818599
],
[
0,
0,
-1.818285
],
[
0,
0,
-0.000346
]
] |
[
[
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0,
0
],
[
0,
-0.035462507230713425,
0
],
[
0,
0,
-0.027756490403532917
]
] | true
| null | null | null | null | null | 1.818599
| 1.145828
| null |
CO_7585894985177191389312664
|
7585894985177191389312664092827078773533374126122679714355150940063606072173587643655708625397648010357175437683453881223782781972813854019151323095957655
|
10842662619924955338068951547372119363483181857013883679147493214600622350109378843918421979925314423999887528375913214550523097944564798440948177484184868
|
[
[
1.89066,
1.89066,
0
],
[
-1.89066,
1.89066,
0
],
[
0,
0,
11.344
]
] |
[
[
0,
0,
3.78132
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[
0,
1.89066,
5.67198
],
[
0,
0,
7.56264
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[
0,
1.89066,
1.89066
],
[
0,
1.89066,
9.4533
],
[
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_48"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_3189929624311648596609317
|
3189929624311648596609317245064890937955853903557579585474115112934008138288195148563820498765487480757329331220284284515247999077560392826492933107351563
| 2025-04-16T18:22:48
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.168981
|
[
[
-0.51904,
0.518999,
0.044542
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[
0.012667,
-0.012566,
-0.539869
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[
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0.01257,
0.539784
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[
0.51899,
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[
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0.127238,
0.481562
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[
0.127222,
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-0.481524
],
[
0.068697,
-0.068699,
0.167303
],
[
-0.06871,
0.068707,
-0.167283
]
] |
[
[
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[
-0.0027731025046299315,
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0.008764826435295341
],
[
-0.008765013680569117,
0.008764826435295341,
-0.026553626764792698
]
] | true
| null | null | null | null | null | 0.735355
| 0.495747
| null |
CO_1207331880238060955331520
|
12073318802380609553315201342536433059708203495237252585899983522178292486362559687075694665727615873173491545224732739237328372603236028168922259525799660
|
5936588852944782233377792946024120348004271678148014357600694407617194658982716378279492289979998738291777190234269126727896761083766091380100864127638536
|
[
[
2.40686,
2.40686,
0
],
[
-5.7123,
5.7123,
3.50575
],
[
2.0314,
-2.0314,
2.46531
]
] |
[
[
-1.8848,
1.8848,
3.1261
],
[
-1.4571,
3.86395,
4.3435
],
[
-1.75288,
4.15974,
1.88768
],
[
-3.73203,
3.73203,
3.10507
],
[
-3.60261,
3.60261,
5.82201
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[
0.01718,
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2.87447
],
[
0.21313,
2.19373,
1.60045
],
[
-3.4231,
5.82996,
4.63072
]
] |
[
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_107"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_3972255432455494328322123
|
3972255432455494328322123930367650657503758009064244502768583979124753033732646955491005666309683636288126651589656495891901997853287744957989598475551522
| 2025-04-16T20:19:02
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -48.487296
|
[
[
-0.442602,
0.44266,
-0.459567
],
[
-0.005407,
0.005302,
-0.640264
],
[
0.444656,
-0.4444,
-0.159343
],
[
0.054859,
-0.054617,
-2.909394
],
[
-0.830318,
0.829971,
2.172019
],
[
0.778813,
-0.778915,
1.996549
]
] |
[
[
-0.0015142525290305373,
-0.010067616635140953,
0.0003060211924420561
],
[
-0.010067616635140953,
-0.0015538861119798958,
-0.0003258691914623649
],
[
0.0003060211924420561,
-0.0003258691914623649,
-0.003363237192482194
]
] | true
| null | null | null | null | null | 2.910424
| 1.620844
| null |
CO_5629366146927229476595808
|
5629366146927229476595808280868416083634737535523789421488836837613677538343612034274598213664287081199601040658083236869210099571353347499190094987281109
|
720578016500649843801745592561993327825086032935061745843342563616502822597148632519041748659233330844413082325380548260715633925567825468932781062708130
|
[
[
1.85341,
1.85341,
0
],
[
-3.70681,
3.70681,
0
],
[
0,
1.85341,
5.56022
]
] |
[
[
0,
3.70681,
3.70681
],
[
-1.85341,
1.85341,
0
],
[
-1.85341,
5.56022,
3.70681
],
[
0,
0,
0
],
[
0,
1.85341,
1.85341
],
[
-1.85341,
3.70681,
1.85341
]
] |
[
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_15"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_3229348661706590478054848
|
3229348661706590478054848761836784841744466759956032031492034293458504351852630752929605179065394896499935338603693005151330761622953520381709280393288681
| 2025-04-16T21:43:16
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -56.971642
|
[
[
0.000214,
0.00765,
-0.062119
],
[
-0.000574,
-0.00717,
0.021123
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[
0.000306,
0.005409,
0.044517
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[
-0.000536,
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0.133209
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[
-0.001369,
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-0.423044
],
[
0.001817,
0.004914,
0.365727
],
[
0.000142,
0.000266,
-0.079414
]
] |
[
[
-0.004358008916965467,
0.00004244226205600615,
0.00012326980523619433
],
[
0.00004244226205600615,
-0.0045511212093202955,
0.000399269338782752
],
[
0.00012326980523619433,
0.000399269338782752,
-0.0005004442017133196
]
] | true
| null | null | null | null | null | 0.423064
| 0.161628
| null |
CO_8318294090281407347175371
|
8318294090281407347175371654082637354278279081931042125948846422082969507392981925911290380148048158454119401267093014247167877588781007611361211282343523
|
11243052735281973065666912648415418260832430063576943599001121276233239058895951063556146925236802797322604530251609141382585376397568581749880984693405301
|
[
[
2.71751,
0.000234,
0.005205
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[
-1.35807,
2.35336,
0.005887
],
[
1.34944,
0.779274,
15.4287
]
] |
[
[
1.36071,
2.35438,
0.0928
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[
1.35655,
0.78332,
1.93904
],
[
2.71348,
1.5667,
9.08707
],
[
1.35146,
2.34908,
10.9331
],
[
-0.00348,
1.56639,
4.2055
],
[
1.35661,
2.35235,
6.84773
],
[
2.70974,
1.56458,
13.2306
]
] |
[
true,
true,
true
] |
Co4Nb3
|
Co4Nb3
|
A4B3
|
[
"Co",
"Nb"
] |
[
0.5714285714285714,
0.42857142857142855
] |
[
27,
27,
27,
27,
41,
41,
41
] | 7
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_311"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_3622365085097838639132071
|
3622365085097838639132071422541381949569474894141031567366669739238993271031716385521838918512240081012110179265548667053151639641855320491767372761832680
| 2025-04-16T18:54:58
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.198181
|
[
[
-0.064959,
0.106457,
0.052207
],
[
0.046072,
-0.182828,
-0.086905
],
[
0.019499,
0.043613,
0.078984
],
[
0.04242,
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-0.178239
],
[
0.04538,
0.221853,
0.303931
],
[
-0.07721,
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0.01433
],
[
-0.003792,
0.077412,
-0.138366
],
[
-0.007409,
-0.020869,
-0.045942
]
] |
[
[
-0.011612702219253354,
0.0023853175426388046,
0.0011670997914489103
],
[
0.0023853175426388046,
-0.014498214303240444,
0.0026726766227944698
],
[
0.0011670997914489103,
0.0026726766227944698,
-0.009270201429218108
]
] | true
| null | null | null | null | null | 0.379015
| 0.177333
| null |
CO_4872748689909167765526731
|
4872748689909167765526731085564929143486003991061957975815579010155844716350492085395200625972977755871635217813073131015573592958005176476524498007663684
|
5508781851066067864602787600763599378913465518420115750477655586727573312753511410458377871535612433858059759765488804582464170380256545042832528495140670
|
[
[
3.25108,
-0.40444,
0.136032
],
[
-1.37691,
2.01371,
-0.379837
],
[
1.18104,
0.690811,
15.5939
]
] |
[
[
1.27135,
1.28609,
15.4732
],
[
1.67506,
0.71906,
1.59356
],
[
1.57466,
2.12539,
9.74577
],
[
1.29324,
0.62323,
11.7293
],
[
0.03337,
1.21009,
3.42605
],
[
1.66334,
1.45012,
5.65187
],
[
-0.00364,
1.98061,
7.75277
],
[
2.90712,
0.75641,
13.6708
]
] |
[
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_303"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_3630393664476028381271390
|
3630393664476028381271390242346397670423187550217952340585831626874300382251169711197988156089086276405035114477692461592208825239077991253858815496592649
| 2025-04-16T19:57:47
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -60.751734
|
[
[
-0.000001,
-0.000923,
-0.108849
],
[
0,
0.000218,
-0.062181
],
[
0,
-0.000062,
0.985249
],
[
0,
0.000141,
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[
0,
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| null | null | null | null | null | 4.818375
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| null |
CO_7290936068176989552058720
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[
true,
true,
true
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Co5Nb3
|
Co5Nb3
|
A5B3
|
[
"Co",
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] |
[
0.625,
0.375
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[
27,
27,
27,
27,
27,
41,
41,
41
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_3648877036290078683817683
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| 2025-04-16T17:17:43
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -32.586624
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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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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 | 0
| 0
| null |
CO_6459678704976125243423459
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0,
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0
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] |
[
true,
true,
true
] |
Co2V2
|
CoV
|
AB
|
[
"Co",
"V"
] |
[
0.5,
0.5
] |
[
27,
27,
23,
23
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_221"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_3691960296228684989969458
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| 2025-04-16T15:43:10
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.486284
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[
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| null | null | null | null | null | 0.677583
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| null |
CO_9851025606377468911153172
|
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[
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[
true,
true,
true
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Co4Nb2V2
|
Co2NbV
|
A2BC
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.25,
0.25
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[
27,
27,
27,
27,
41,
41,
23,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_212"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_3702424873414873907513924
|
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| 2025-04-16T17:59:53
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.790018
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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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0
],
[
-0.0000036824903842711223,
0,
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] | true
| null | null | null | null | null | 0
| 0
| null |
CO_9038429278331050720390285
|
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|
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[
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[
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[
3.853,
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1.9265
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[
0,
3.853,
0
]
] |
[
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_204"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_3293165509592191369066484
|
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| 2025-04-16T17:08:48
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.243943
|
[
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[
0.057617,
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[
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] |
[
[
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[
0.004356885445322808,
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-0.0237659191288082
]
] | true
| null | null | null | null | null | 0.404308
| 0.201515
| null |
CO_4935460443409109165667072
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|
6137726864721373931919943953130784249201334264928489224811177231521110879801300191764164813711866330967550087991035862848884367866664567511079787426339962
|
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[
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[
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[
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[
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[
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[
-3.53487,
5.25183,
1.80412
]
] |
[
true,
true,
true
] |
Co5V3
|
Co5V3
|
A5B3
|
[
"Co",
"V"
] |
[
0.625,
0.375
] |
[
27,
27,
27,
27,
27,
23,
23,
23
] | 8
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_261"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_3305886138537506851838014
|
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| 2025-04-16T21:51:46
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.405974
|
[
[
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0.00001
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[
0.087128,
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[
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[
0.000024,
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[
0.000024,
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]
] |
[
[
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0,
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0
],
[
0.0054019637333607,
0,
-0.008788856245429993
]
] | true
| null | null | null | null | null | 0.34375
| 0.112652
| null |
CO_1280755383100764788411294
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|
[
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[
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1.8325
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[
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[
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[
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5.857,
1.82865
],
[
-3.67977,
1.95918,
1.82865
]
] |
[
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_266"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_3313729623085407653558422
|
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| 2025-04-16T18:49:01
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.157612
|
[
[
0.03462,
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0.189833
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[
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0.133024,
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[
0.052896,
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[
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0.090186,
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] |
[
[
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[
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0.003982082822313519
],
[
0.0009170025207747682,
0.003982082822313519,
0.0027615557127470473
]
] | true
| null | null | null | null | null | 0.640721
| 0.292989
| null |
CO_1089482257072036664382441
|
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|
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|
[
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[
1.37416,
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[
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]
] |
[
[
1.34572,
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[
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[
2.59187,
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[
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[
2.61474,
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[
2.63778,
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4.73058
],
[
1.41174,
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7.17237
]
] |
[
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_170"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_3329645175861434910778094
|
3329645175861434910778094078529327807318107140685983600898948568062192615068065382418132065513269469651879559510714257450916047306849378014951178518378616
| 2025-04-16T21:13:40
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -63.008031
|
[
[
-0.006085,
-0.168155,
0.237234
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[
0.04196,
0.24036,
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[
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[
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[
0.008784,
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[
0.004228,
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[
0.0139,
0.083789,
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[
0.009717,
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0.004986
]
] |
[
[
-0.02569242333560333,
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0.0014141387226513696
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[
-0.00008875425977005993,
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0.00005586150667665515
],
[
0.0014141387226513696,
0.00005586150667665515,
-0.009841986080240273
]
] | true
| null | null | null | null | null | 0.346686
| 0.222517
| null |
CO_2695292524496067153464338
|
2695292524496067153464338743428528404494990646784995256838919781161443462128846518600214429344553261788759102937676212167992425633436529768728539129084530
|
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|
[
[
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[
1.29888,
-0.815826,
8.51181
],
[
0.046191,
-4.13978,
0.299953
]
] |
[
[
2.67877,
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8.6518
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[
2.70973,
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2.12119
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[
1.3413,
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4.2018
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[
1.34116,
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6.61501
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[
2.72173,
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6.61222
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[
1.37181,
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2.4581
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[
1.34032,
-4.79457,
8.56934
],
[
2.71569,
-2.88856,
4.80489
]
] |
[
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_191"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_3432474862094762272908882
|
3432474862094762272908882562279021430409112325844458524408071954525944423878457032562168084391634878062091787395555611307509678826672604856006716093124769
| 2025-04-16T17:58:31
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.813198
|
[
[
0,
0.585837,
0
],
[
0,
-0.000024,
0
],
[
0,
-0.585833,
0
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[
0,
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0
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[
0,
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0
],
[
0,
0.041895,
0
],
[
0,
-0.000036,
0
],
[
0,
-0.000036,
0
]
] |
[
[
0.017153289870299925,
0,
0
],
[
0,
-0.03319321934272479,
0
],
[
0,
0,
0.017153289870299925
]
] | true
| null | null | null | null | null | 0.585837
| 0.156933
| null |
CO_1115261205794921477757360
|
11152612057949214777573600585099407269273259409480653079629608595976805383112949876541216152295455009847195470462809781843733910928035468684719752174535665
|
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|
[
[
3.69312,
0,
0
],
[
0,
7.62228,
0
],
[
0,
0,
3.69312
]
] |
[
[
0,
3.84391,
0
],
[
0,
5.71671,
1.84656
],
[
1.84656,
7.58951,
1.84656
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[
1.84656,
5.71671,
0
],
[
0,
7.39616,
0
],
[
1.84656,
4.03725,
1.84656
],
[
0,
1.90557,
1.84656
],
[
1.84656,
1.90557,
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_84"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_3476886853852597268971097
|
3476886853852597268971097507617175384299918215892622149952026089557387971186159369609733695717963782559294673794623369662575430890379553103222987318101011
| 2025-04-16T20:19:02
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.957093
|
[
[
-0.658444,
-0.639705,
-0.000721
],
[
-0.037337,
0.57781,
0.000059
],
[
-0.301214,
-0.250865,
0.344113
],
[
-0.300636,
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-0.343965
],
[
0.039628,
-0.632424,
-0.00129
],
[
-0.257081,
-0.021813,
-0.057008
],
[
-0.268085,
-0.023116,
0.058904
],
[
1.78317,
1.23968,
-0.000091
]
] |
[
[
-0.04037969295026678,
-0.012943953700712996,
4.993207300706607e-7
],
[
-0.012943953700712996,
0.011803567568322865,
-0.000009861584418895548
],
[
4.993207300706607e-7,
-0.000009861584418895548,
0.0196769192551683
]
] | true
| null | null | null | null | null | 2.171751
| 0.735538
| null |
CO_4586246984314890331613166
|
4586246984314890331613166454752359147131139099525948110189643413301265865648806201726071212335024016850716471237580780242168582621452135660562379180844794
|
13163583945940460084191303737598710951822179356735491832199876867058099822466369005521487715978358511352886989226785248645096049063866654951768149530498706
|
[
[
2.54341,
0.208799,
4.52578
],
[
-2.51681,
4.58313,
0
],
[
-2.54342,
-0.208794,
4.52581
]
] |
[
[
-2.08212,
4.29401,
4.52583
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[
-3.64262,
2.0363,
4.52579
],
[
-1.4391,
0.91768,
6.86682
],
[
-1.43911,
0.91757,
2.18477
],
[
-0.91044,
1.85163,
4.52586
],
[
-2.79649,
3.20813,
2.40843
],
[
-2.79616,
3.2082,
6.64308
],
[
-0.03034,
4.67602,
4.52578
]
] |
[
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_329"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_3448738585260986861110125
|
3448738585260986861110125208309611822079062005396801002992065487332159491874481045345009809346255745798769325904074409682232517000305057366979972612428517
| 2025-04-16T18:41:35
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -17.303745
|
[
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
-0.0010292872699494081,
0,
0
],
[
0,
-0.0010292872699494081,
0
],
[
0,
0,
0.014754927573588022
]
] | true
| null | null | null | null | null | 0
| 0
| null |
CO_5604559206237754746029479
|
5604559206237754746029479234740858492234659978721705945740071331051586588878009845035797005791314778801474576843910135933770853428441228038495532769923223
|
5604559206237754746029479234740858492234659978721705945740071331051586588878009845035797005791314778801474576843910135933770853428441228038495532769923223
|
[
[
1.9265,
1.9265,
0
],
[
-1.9265,
1.9265,
0
],
[
0,
0,
3.853
]
] |
[
[
0,
0,
0
],
[
0,
1.9265,
1.9265
]
] |
[
true,
true,
true
] |
CoNb
|
CoNb
|
AB
|
[
"Co",
"Nb"
] |
[
0.5,
0.5
] |
[
27,
41
] | 2
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_193"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_3486703750737262968486453
|
3486703750737262968486453974588888274408107375147364931000571458150897581439825949447109033792508560030143399254115385718498076022824553075245087065128088
| 2025-04-16T18:47:56
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -33.432026
|
[
[
0,
-0.000001,
-0.000001
],
[
0,
0.000001,
0.000001
],
[
0,
0,
0.000014
],
[
0,
0,
-0.000014
]
] |
[
[
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0,
0
],
[
0,
-0.011762498438274554,
0
],
[
0,
0,
0.010987178174657334
]
] | true
| null | null | null | null | null | 0.000014
| 0.000008
| null |
CO_8746639885184407523858355
|
8746639885184407523858355612809631134252528042948433226675329764876165079189477282433893705990103002796013659894057725292357302740273690383676975797402160
|
8746639885184407523858355612809631134252528042948433226675329764876165079189477282433893705990103002796013659894057725292357302740273690383676975797402160
|
[
[
2.72448,
0,
0
],
[
-1.36224,
2.35947,
0
],
[
0,
0,
8.89812
]
] |
[
[
0,
0,
0
],
[
0,
1.57298,
4.44906
],
[
1.36224,
0.78649,
2.22453
],
[
1.36224,
0.78649,
6.67359
]
] |
[
true,
true,
true
] |
Co2Nb2
|
CoNb
|
AB
|
[
"Co",
"Nb"
] |
[
0.5,
0.5
] |
[
27,
27,
41,
41
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_220"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_3502036223087482528264921
|
350203622308748252826492111147346757581311453040450568399608595063384536701357310882518052063671527816284167732951130953607676343139224377785385905028746
| 2025-04-16T17:45:46
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -33.825931
|
[
[
-0.000016,
0,
-0.000024
],
[
-0.000021,
-0.000014,
0.000019
],
[
0.000801,
0.012481,
-0.013737
],
[
-0.000764,
-0.012467,
0.013742
]
] |
[
[
0.004006736783360758,
0.008761206360002329,
0.00831094389166111
],
[
0.008761206360002329,
0.00493154119054288,
0.030292353146288028
],
[
0.00831094389166111,
0.030292353146288028,
-0.03341279563377336
]
] | true
| null | null | null | null | null | 0.018577
| 0.009302
| null |
CO_1124894682353448151980168
|
11248946823534481519801683779355083868720892331702376141822274950626209511972487014866687425384310097060654273643420581433044103246946584917041198468832392
|
5950754124368857444989932797431992465526288133176684240016743169424501289149806186676145879467772682177769585850428786059432713797517578251451063122232930
|
[
[
3.07496,
1.06491,
0.361078
],
[
-3.9378,
1.90129,
1.38166
],
[
3.04446,
-2.40331,
4.08965
]
] |
[
[
0.00001,
0,
0.00001
],
[
3.05972,
-0.6692,
2.22537
],
[
1.09861,
1.14819,
1.98451
],
[
1.08302,
-0.58531,
3.84789
]
] |
[
true,
true,
true
] |
Co2Nb2
|
CoNb
|
AB
|
[
"Co",
"Nb"
] |
[
0.5,
0.5
] |
[
27,
27,
41,
41
] | 4
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_78"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_4019461976865850922149835
|
401946197686585092214983578267842197703414437204213991971374376527155035950644041024986066488504926022589636648024000317371640523279224805661687295086373
| 2025-04-16T21:12:08
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -51.963828
|
[
[
0,
-0.000001,
1.830531
],
[
0,
0.000008,
0.097625
],
[
0.000001,
-0.000014,
0.101211
],
[
-0.000001,
0.000015,
-0.070009
],
[
0.000001,
-0.000014,
-0.372297
],
[
-0.000001,
0.000009,
3.001539
],
[
-0.000001,
-0.000003,
-4.588601
]
] |
[
[
-0.02980682615138557,
-6.241509125883259e-8,
0
],
[
-6.241509125883259e-8,
-0.029807949623028226,
-1.2483018251766518e-7
],
[
0,
-1.2483018251766518e-7,
-0.036385251939884004
]
] | true
| null | null | null | null | null | 4.588601
| 1.437402
| null |
CO_1019517677383545348324792
|
1019517677383545348324792946987341432539125713169219413335874336047167563108206458311260421316936805739604206600692075751198333130245240125159036523063388
|
8115178785292124447395352279865024333835847379836942841543774618250580529353905456156090081958418400979809383848246096274693230357684782602631454960888679
|
[
[
2.57014,
0,
0
],
[
-1.28507,
2.2258,
0
],
[
0,
0,
14.6893
]
] |
[
[
0,
1.48387,
4.1994
],
[
0,
0,
6.2961
],
[
1.28507,
0.74194,
8.39394
],
[
0,
0,
10.492
],
[
1.28507,
0.74194,
12.5904
],
[
1.28507,
0.74194,
2.10376
],
[
0,
0,
14.6817
]
] |
[
true,
true,
true
] |
Co5NbV
|
Co5NbV
|
A5BC
|
[
"Co",
"Nb",
"V"
] |
[
0.7142857142857143,
0.14285714285714285,
0.14285714285714285
] |
[
27,
27,
27,
27,
27,
41,
23
] | 7
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_146"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_4011144099091950599203553
|
4011144099091950599203553022222881356583366283420939909064094114207939770468805411983567962668104331024137061841766791049447597557047282717009670079932222
| 2025-04-16T18:21:17
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.868638
|
[
[
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0.214659,
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[
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[
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[
0.062571,
0.052269,
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] |
[
[
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[
1.2483018251766518e-7,
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0.01604766894374096
]
] | true
| null | null | null | null | null | 0.838746
| 0.510512
| null |
CO_4338485524014288207053395
|
4338485524014288207053395583396841302158334822556959981952490954892207387085268594141535835007169381632023439571327331786575321010402253664682173514210181
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|
[
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[
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0
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[
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[
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0
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[
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[
2.29081,
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0
],
[
3.91771,
0.85671,
2.20448
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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_211"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_4009811651874792629976161
|
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| 2025-04-16T20:58:52
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.107357
|
[
[
0.015573,
0.00861,
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0.41736,
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[
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[
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0.135754,
-0.000504
]
] |
[
[
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[
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],
[
-0.0000024341885590944705,
-0.0000014355470989531495,
0.01732717831454703
]
] | true
| null | null | null | null | null | 1.111567
| 0.505261
| null |
CO_6375349387748811693196888
|
6375349387748811693196888584865674009483595737845888891751362593888310577834577837101331472053675940297840635860319767099945073739039724076819346080803119
|
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|
[
[
0,
0,
3.99368
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[
3.52073,
2.03285,
0
],
[
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5.28052,
0
]
] |
[
[
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[
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[
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[
0.87948,
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[
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[
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[
1.90236,
4.61844,
0.00003
],
[
-0.68696,
4.81661,
0.00003
]
] |
[
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_12"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4069773950044049056112661
|
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| 2025-04-16T16:26:57
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.651658
|
[
[
-0.698106,
-0.684022,
-0.799758
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[
0.698065,
0.684028,
0.799735
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[
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[
0.698037,
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[
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[
0.000028,
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0.000004
],
[
-0.000013,
0.00001,
0.000001
],
[
0.000073,
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-0.000003
]
] |
[
[
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0.015171298647375693,
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],
[
0.015171298647375693,
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-0.026167214934809266
],
[
-0.025395639576667576,
-0.026167214934809266,
-0.0017695302522791625
]
] | true
| null | null | null | null | null | 1.262874
| 0.631447
| null |
CO_1277510659250955896364236
|
12775106592509558963642366611308572700521835391194827288654131165693739787525373613126280696217624965265080907125282893939136416602954130895619882399720026
|
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|
[
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[
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4.36623,
0.309221
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[
-2.10201,
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3.27869
]
] |
[
[
0.04871,
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1.62717
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[
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1.85591,
2.99708
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[
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4.24545,
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[
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3.15169
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[
0,
0,
0
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[
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4.62425
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[
-0.12547,
3.90725,
2.9076
],
[
-2.24354,
6.09037,
3.06221
]
] |
[
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_33"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4059304659040632303711042
|
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| 2025-04-16T15:18:28
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.127579
|
[
[
0.000381,
0.002965,
0.462811
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[
0.000026,
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[
0.000406,
0.001439,
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[
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0.507563
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[
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[
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1.038564
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[
0.001646,
0.0072,
-0.2916
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[
-0.001325,
-0.000202,
-0.563761
]
] |
[
[
0.02140862596214461,
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0.000054675619942737344
],
[
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0.021675637722549896,
0.00009131327851167207
],
[
0.000054675619942737344,
0.00009131327851167207,
0.012776431595774289
]
] | true
| null | null | null | null | null | 1.038619
| 0.50226
| null |
CO_2140023262568106057416649
|
2140023262568106057416649874484764458480174131116212419594055574775562030307646405098161406659960230311956780965650137228288024014685623287029423251426671
|
9503246053673947079343540479479754788924309262079987805871272965506676146402428237101861292144328487895468837727403005201366029472282888383951754888838205
|
[
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[
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2.34476,
-0.005713
],
[
-0.000009,
-1.56,
17.6499
]
] |
[
[
1.35474,
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8.84792
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[
0.0005,
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10.9937
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[
1.35649,
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13.1449
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[
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6.84902
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[
1.35686,
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17.544
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[
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[
1.35546,
0.78176,
2.28034
],
[
1.35544,
-0.77774,
15.1174
]
] |
[
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_364"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4099572157521066609794018
|
4099572157521066609794018481278939031655772735007061519696740962069951928316303069158382207921189235730902112912252828283857591447729218206324151193326133
| 2025-04-16T20:10:30
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -46.726282
|
[
[
0,
-0.000163,
1.255205
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[
0,
-0.000149,
1.255207
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[
0,
0.000351,
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[
0,
0.000296,
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[
0,
-0.000158,
-0.036041
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[
0,
-0.000176,
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]
] |
[
[
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0,
0
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[
0,
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0.00002415464031716821
],
[
0,
0.00002415464031716821,
0.005593640478616576
]
] | true
| null | null | null | null | null | 1.255207
| 0.836804
| null |
CO_4789948819710694423707813
|
4789948819710694423707813446432556430132321664274016606109586548729820183994673865102160069872891776875461249583096554862050984722439390232674488040421302
|
10246803743997153812468768846459410042597897218027945585626563353588889629760309088046144541555757212741884020204707507619574291278275452973135052466271281
|
[
[
2.64154,
0,
0
],
[
0,
-1.52509,
6.47042
],
[
0,
-4.57528,
0
]
] |
[
[
1.32077,
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2.15681
],
[
0,
-1.52509,
2.15681
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[
0,
-3.05019,
4.31361
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[
1.32077,
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4.31361
],
[
0,
0,
0
],
[
1.32077,
-2.28764,
0
]
] |
[
true,
true,
true
] |
Co4Nb2
|
Co2Nb
|
A2B
|
[
"Co",
"Nb"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
27,
27,
27,
27,
41,
41
] | 6
| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_290"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4120507883101244512769395
|
4120507883101244512769395215260407629954635226446968726957307156102879544945894002742447831003951702655735359059422715355223497340104954325553552963181145
| 2025-04-16T21:21:56
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -64.521589
|
[
[
0.194057,
-0.19401,
-0.000035
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[
-0.000023,
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0.000056
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[
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0.194035,
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[
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0.000036
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[
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0.119429
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[
0.040167,
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-0.00005
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[
-0.040185,
0.040216,
-0.000047
],
[
-0.000007,
-0.000019,
-0.119351
]
] |
[
[
-0.002019065787131975,
-0.006870216340133479,
0
],
[
-0.006870216340133479,
-0.0020192530324057516,
0
],
[
0,
0,
0.0011289017555985049
]
] | true
| null | null | null | null | null | 0.274405
| 0.112665
| null |
CO_4373269788018028739783878
|
4373269788018028739783878824397422361558607904436331628096776711737747597507775768497649464444897200897863252140015012762974554028129515027009820745614685
|
165335905694346012875201742118387273014334872425548470934006649685168836462359039629260671726740767767197311424628589832281899235527409094685911503337642
|
[
[
1.77034,
1.77034,
0
],
[
-3.5533,
3.5533,
3.74935
],
[
3.5533,
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3.74935
]
] |
[
[
3.42196,
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3.74935
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[
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1.87467
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[
-1.64531,
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3.74935
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[
-0.00315,
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5.62402
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[
1.7735,
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1.57639
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[
0.01127,
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3.74935
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[
1.76539,
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3.74935
],
[
1.7735,
-0.00315,
5.9223
]
] |
[
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_172"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_4125934636694725990266638
|
4125934636694725990266638094199640614615258110974726915955377499549272378204213935247032480024171432391616710467818554025186449032255151394681040233964756
| 2025-04-16T21:28:46
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.735057
|
[
[
0.143785,
0.000036,
0.011535
],
[
0.041203,
-0.000018,
-0.041205
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[
0.122259,
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[
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0.000036,
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[
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0.000032,
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[
-0.110999,
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0.110988
],
[
-0.047421,
0.000033,
0.022985
],
[
-0.114313,
-0.00005,
0.114301
]
] |
[
[
0.00038191794341279657,
0,
0.0025882290043212695
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[
0,
-0.01327519059002362,
0
],
[
0.0025882290043212695,
0,
0.0003817931132302789
]
] | true
| null | null | null | null | null | 0.172891
| 0.117962
| null |
CO_8957734576626655548762819
|
8957734576626655548762819371675880336172771709581269597643295979959885792711751036186448514158391683568916163450545047835192653805483503888170675949427566
|
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|
[
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0
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[
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0,
3.96035
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[
4.01116,
0,
4.01116
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[
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[
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[
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[
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[
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3.98027
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[
-3.73504,
0,
3.73504
]
] |
[
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_315"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4113060182507946019864847
|
4113060182507946019864847116732470144637417808619599487783065742179294475786048710589687416359555995615084150440446412215889835910564546550942709618886864
| 2025-04-16T20:59:49
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -49.653489
|
[
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[
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[
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[
-0.014702623727113121,
0.0115268190536812,
-0.002656136623610879
]
] | true
| null | null | null | null | null | 0.751547
| 0.439195
| null |
CO_1004513968340997077154033
|
10045139683409970771540333476734504080818261310501266453361067444662948781390838846292123915492129603031608446617296493880904355457320165937109045300562877
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|
[
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[
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[
0.18812,
1.54563,
5.3472
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[
[
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[
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[
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3.42627
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[
-2.04954,
3.89178,
1.68026
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[
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_25"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4149381545528704084209314
|
4149381545528704084209314477196107732474118246720754854778316578077834157886300205872862857311689797047141918810974144737627515154439918946732080064813576
| 2025-04-16T21:28:46
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -62.45747
|
[
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[
0,
0.000371,
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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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1.956035
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[
0,
0.000355,
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[
0,
-0.000146,
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]
] |
[
[
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0
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[
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0.00002228218757940323
],
[
0,
0.00002228218757940323,
-0.020301756733760473
]
] | true
| null | null | null | null | null | 1.956355
| 0.593742
| null |
CO_8283600940456303551602016
|
8283600940456303551602016908861537289920241644453086088860663622540734216327429833075566425355614044636129982688264914851439653011999577246793952355043435
|
7264840278567232625082389249279403075330762601922379274708151043085190947236086573592140966612997103734525068737824581483537823565836763556972309918052366
|
[
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0
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[
-1.28311,
2.22241,
0
],
[
0,
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16.7625
]
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[
[
0,
0,
0
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[
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2.09531
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[
1.28311,
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[
1.28311,
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[
0,
0,
10.4766
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[
0,
1.48161,
4.19062
],
[
0,
0,
6.28594
]
] |
[
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_45"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4211558674703371847133477
|
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| 2025-04-16T17:11:10
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.396828
|
[
[
0.530375,
0.00001,
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[
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0.000746,
0.074712
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[
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1.123064
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[
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0.07471
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[
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0.372474
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[
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[
-0.143351,
0.000013,
0.17474
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[
0.624885,
-0.012731,
-0.6348
]
] |
[
[
-0.009025534271483485,
6.241509125883259e-8,
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[
6.241509125883259e-8,
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],
[
-0.007789840294741118,
-6.241509125883259e-8,
-0.010100509388234358
]
] | true
| null | null | null | null | null | 1.565079
| 0.636613
| null |
CO_1019237337521921684660825
|
10192373375219216846608252129903315912181361378475457568249578733320673234754992000428126947575875480870795465723076001483968025288596057233494109790238467
|
295997116400567494957724140369304219300901371046073618702761660015313492360079720691753486898318732572492552735349064695120886148004112329026806627721303
|
[
[
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1.98258
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[
-2.01817,
3.16861,
-1.98258
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[
-5.92165,
0,
1.97332
]
] |
[
[
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0.04181
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[
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1.96835
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[
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1.8078
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[
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1.96835
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[
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3.842
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[
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4.75111,
0.17235
],
[
-5.82804,
3.16861,
1.87614
],
[
-2.1569,
1.58611,
0.17235
]
] |
[
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_340"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4277285381151865471437483
|
4277285381151865471437483509133317526146131139273669354751122692194566407413338011979145278553578575360028007839736595603491192113898026136973241993684500
| 2025-04-16T18:52:56
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.384034
|
[
[
-0.000019,
-0.000006,
0.000033
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[
-0.000511,
0.000509,
0.005598
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[
0.000027,
0.000012,
0.000017
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[
0.000491,
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[
-0.000539,
0.000515,
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[
0.00053,
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0.068926
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[
0.351081,
-0.35108,
-0.000585
],
[
-0.351061,
0.351079,
0.000519
]
] |
[
[
-0.01316178236920632,
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[
-0.005368009923715896,
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0.000039633582949358685
],
[
-0.00003969599804061752,
0.000039633582949358685,
0.00029135364599623047
]
] | true
| null | null | null | null | null | 0.496503
| 0.142774
| null |
CO_3250696517563442273291641
|
3250696517563442273291641968734221553448824362629493677024397745370030049531711943345629694216530569551321617136367501337739627740555395159895364323422582
|
4454082644985068621147625264499125947299004917611313857403346602478304423100592879750107956140999796068704263892506753013481414532191433017086629263125816
|
[
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1.90027,
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0
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[
-3.71345,
3.71345,
-0.001303
],
[
-1.85884,
1.85884,
7.43382
]
] |
[
[
0.02124,
1.87903,
1.85829
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[
0.04361,
3.75693,
0.13899
],
[
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3.73575,
1.85764
],
[
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5.61484,
3.57629
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[
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3.71336,
0.10977
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[
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3.60551
],
[
-1.95706,
3.85732,
5.57498
],
[
-3.57276,
5.47303,
5.57413
]
] |
[
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_317"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_4290759466546853279929187
|
4290759466546853279929187687547342502574542986308238680451139748554873834915604798462706498411667890672728283318911624198748464266615899401042719811750701
| 2025-04-16T15:23:08
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -67.665679
|
[
[
0.188691,
-0.188529,
0.06127
],
[
-0.188573,
0.18869,
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[
0.188612,
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0.061257
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[
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0.188543,
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[
0.792456,
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0.805116
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[
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0.79231,
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[
0.792594,
-0.792352,
0.80518
],
[
-0.792465,
0.792454,
-0.805185
]
] |
[
[
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0.0020622570302830873
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[
-0.02632581168169796,
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-0.0020693099355953352
],
[
0.0020622570302830873,
-0.0020693099355953352,
0.0011958107334279734
]
] | true
| null | null | null | null | null | 1.379979
| 0.826825
| null |
CO_7627763117065902971416440
|
7627763117065902971416440215753839310678504606195704317465185488897432225038589793099452079535858568161256281823703506462596567438514517037910908280539606
|
673577920133520083098429028621441236565099894899536422004740066839813536979668391413882238140750531501476220269259880793044641889389691944633885851844413
|
[
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1.85476,
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0.000004
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[
-3.44248,
3.44248,
1.02729
],
[
-0.252359,
0.25236,
9.16662
]
] |
[
[
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5.49214,
9.96649
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[
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1.90845,
2.7759
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[
0.06471,
3.64472,
4.86954
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[
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3.75609,
7.87286
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[
-3.50051,
3.50056,
5.65601
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[
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2.04533,
7.08638
],
[
-1.65309,
1.65314,
0.55905
],
[
-1.78567,
3.64047,
3.01672
]
] |
[
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_136"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_4351481604422273533595317
|
4351481604422273533595317632675283343865111867268035957892467006354273455399270655734865458377188881631845516888419705294499605114720440423290273648139845
| 2025-04-16T20:11:35
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -42.137876
|
[
[
-0.000002,
0.001016,
-0.103862
],
[
-0.000002,
0.001016,
-0.1039
],
[
-0.000001,
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[
-0.000001,
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],
[
0.000003,
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0.104092
],
[
0.000003,
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0.104251
]
] |
[
[
-0.018346916075533834,
-3.120754562941629e-7,
0
],
[
-3.120754562941629e-7,
-0.01823712793000955,
0.0000356390171087934
],
[
0,
0.0000356390171087934,
-0.0119748345787371
]
] | true
| null | null | null | null | null | 0.104255
| 0.069455
| null |
CO_4855282248483142477342868
|
4855282248483142477342868506313666241984266610011136188040892834768026262779267292127113853922672326182614468260183454962853203442256477328325482110528473
|
10219255652938221311495967953774105632451732816351734470257399071211459367515750253968062928374165551727978316603160905077619698496703319186860405927303026
|
[
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2.45792,
0,
0
],
[
-1.22896,
2.12862,
0
],
[
0,
1.41908,
12.0413
]
] |
[
[
0,
0,
0
],
[
0,
2.83816,
6.02066
],
[
1.22896,
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2.00689
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[
0,
1.41908,
8.02754
],
[
0,
1.41908,
4.01377
],
[
1.22896,
2.12862,
10.0344
]
] |
[
true,
true,
true
] |
Co6
|
Co
|
A
|
[
"Co"
] |
[
1
] |
[
27,
27,
27,
27,
27,
27
] | 6
| 1
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_245"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4387786397427929017641240
|
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| 2025-04-16T16:50:51
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.294909
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0,
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0.03411203190114606
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| null | null | null | null | null | 1.962316
| 0.781588
| null |
CO_8835348615737879295069122
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0
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[
true,
true,
true
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Co4Nb3V
|
Co4Nb3V
|
A4B3C
|
[
"Co",
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"V"
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[
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[
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23
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| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_135"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4373433867267635545123511
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| 2025-04-16T18:29:47
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -49.371347
|
[
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[
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[
0.006187582487035627,
-0.0107152356220426,
-0.03495007933147841
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| null | null | null | null | null | 0.175904
| 0.102158
| null |
CO_2493851932214084179732070
|
2493851932214084179732070095012525690136466463594031025954270706092908238181704608219967046168115570180861689325262844117548118415677185777619150084303634
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[
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[
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[
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[
true,
true,
true
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Co4Nb2
|
Co2Nb
|
A2B
|
[
"Co",
"Nb"
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[
0.6666666666666666,
0.3333333333333333
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[
27,
27,
27,
27,
41,
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| 2
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_372"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4412707520205366710811275
|
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| 2025-04-16T21:30:02
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -66.994537
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[
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[
0,
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[
0,
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0.000028
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[
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0
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0.011743399420349349,
0.009397840290842422
],
[
0,
0.009397840290842422,
0.017800659196836537
]
] | true
| null | null | null | null | null | 0.867321
| 0.398308
| null |
CO_1192797222169574643250393
|
11927972221695746432503937071327748630226543219269043630529390694877843251176755696231315973978560695379041565615855048696998270924153244003009759007650333
|
13097098977291871330209769293488656386814148035487143202257201125217931936735016617671687292448483208125964386495482746258741740021096755366049162961662253
|
[
[
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0
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[
0,
4.38285,
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[
0,
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8.97336
]
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[
[
1.41378,
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[
1.41378,
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[
1.41378,
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[
0,
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6.5702
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[
0,
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[
0,
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[
0,
1.23599,
4.66383
],
[
1.41378,
0.72107,
2.20338
]
] |
[
true,
true,
true
] |
Co4Nb3V
|
Co4Nb3V
|
A4B3C
|
[
"Co",
"Nb",
"V"
] |
[
0.5,
0.375,
0.125
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[
27,
27,
27,
27,
41,
41,
41,
23
] | 8
| 3
| 3
|
[
1,
1,
1
] |
[
"CoNbV_CMS2019_43"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4899784369646972382556427
|
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| 2025-04-16T17:44:43
|
DS_sn623uhg2d1b_0
| 1
|
VASP
|
DFT
| -65.06298
|
[
[
0.136422,
-0.153156,
-0.218544
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[
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0.21855
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[
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[
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0
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[
0.189069,
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0.167867
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[
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[
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[
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0.197897,
0.694268
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] |
[
[
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[
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0.005015427073194751
],
[
-0.002843381897387377,
0.005015427073194751,
-0.009226073959698114
]
] | true
| null | null | null | null | null | 0.730184
| 0.341274
| null |
CO_4348706522488829236773584
|
4348706522488829236773584918784509885115786852507889119860682158049810387105096586023820289334082748230308031943901880327911878390067596936792112041075836
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|
[
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[
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[
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5.05634
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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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1.77302,
3.18752
],
[
-1.90317,
4.18163,
1.29451
]
] |
[
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_271"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|