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string | hash
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DS_720rbshv96l1_0
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VASP
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Ga4Sc8Tc4
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GaSc2Tc
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A2BC
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/6389/MD_1051452242880517980966389.json
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DS_720rbshv96l1_0
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VASP
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O16Te4Tl4U2
|
O8Te2Tl2U
|
A8B2C2D
|
[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8236/MD_6141593357601804752938236.json
| null |
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PO_1001645813045613329823094
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| 2025-04-16T15:23:12
|
DS_720rbshv96l1_0
| 1
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VASP
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BrMnSe
|
BrMnSe
|
ABC
|
[
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[
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[
25,
34,
35
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| 3
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|
[
0,
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0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9684/MD_1657438593171919044929684.json
| null |
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PO_1001626142344880143261241
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| 2025-04-16T20:43:06
|
DS_720rbshv96l1_0
| 1
|
VASP
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[
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H2Si6
|
HSi3
|
A3B
|
[
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[
0.25,
0.75
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[
14,
14,
14,
14,
14,
14,
1,
1
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| 2
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7335/MD_5691041378809490628037335.json
| null |
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PO_1001674501178635801710122
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| 2025-04-16T16:54:00
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.526537
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[
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[
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| null | null | null | null | null | 0.00813
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[
true,
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true
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Br2Se
|
Br2Se
|
A2B
|
[
"Br",
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[
0.6666666666666666,
0.3333333333333333
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[
34,
35,
35
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| 2
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0537/MD_6867619864681813365740537.json
| null |
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PO_1001602157028557172948898
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| 2025-04-16T17:06:11
|
DS_720rbshv96l1_0
| 1
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VASP
| null | -3.929998
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CO_9552075779473012476441263
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true,
true
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Cd2Co4O8
|
CdCo2O4
|
A4B2C
|
[
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"O"
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[
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27,
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8,
8,
8,
8,
8,
8,
8,
8
] | 14
| 3
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5066/MD_6017239440420388417135066.json
| null |
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PO_1001681062562802385164415
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| 2025-04-16T22:03:29
|
DS_720rbshv96l1_0
| 1
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VASP
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CO_1327125871012377811993994
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[
true,
true,
true
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CuLiZn2
|
CuLiZn2
|
A2BC
|
[
"Cu",
"Li",
"Zn"
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[
0.25,
0.25,
0.5
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[
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30,
30,
29
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| 3
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4015/MD_4986347928686577279904015.json
| null |
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PO_1001687113536916748269900
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| 2025-04-16T19:49:49
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.320069
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0,
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[
0,
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| null | null | null | null | null | 0.016082
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CO_7958224356301705707669876
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[
true,
true,
true
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BeNb4Zn
|
BeNb4Zn
|
A4BC
|
[
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[
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[
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41,
41,
41,
41,
30
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| 3
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5953/MD_3242537029323669478025953.json
| null |
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PO_1001649304195017496763054
|
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| 2025-04-16T21:37:17
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.831224
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[
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| null | null | null | null | null | 0.064739
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CO_8594912925108762939095032
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[
true,
true,
true
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Cr2Li4O10V3
|
Cr2Li4O10V3
|
A10B4C3D2
|
[
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"O",
"V"
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[
0.10526315789473684,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 19
| 4
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8703/MD_8944915377772338502238703.json
| null |
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PO_1001651410923508635696681
|
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| 2025-04-16T16:56:41
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.283215
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[
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CO_4739133384544086140110037
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[
true,
true,
true
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Be3K12P6
|
BeK4P2
|
A4B2C
|
[
"Be",
"K",
"P"
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[
0.14285714285714285,
0.5714285714285714,
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19,
19,
19,
19,
19,
4,
4,
4,
15,
15,
15,
15,
15,
15
] | 21
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_101385"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1528/MD_4432593576491516256341528.json
| null |
{"jid": "JVASP-3060_elast-0", "hash": "443259357649151625634152870353474522835723785195622337275990590705628043879144279269870830491200652660857290692814026410153377541700189091262747417270178", "id": "MD_4432593576491516256341528"}
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PO_1001667547735022352683804
|
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| 2025-04-16T15:44:44
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.654234
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0
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[
0,
0,
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] | false
| null | null | null | null | null | 0.000532
| 0.000285
| null |
CO_1080660101853165398565182
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[
true,
true,
true
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Ag2Bi2Ca2
|
AgBiCa
|
ABC
|
[
"Ag",
"Bi",
"Ca"
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[
0.3333333333333333,
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0.3333333333333333
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[
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47,
83,
83,
20,
20
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| 3
| 0
|
[
0,
0,
0
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[
"id_prop_270722"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6114/MD_7333098661269614426446114.json
| null |
{"jid": "JVASP-148981_main-0", "hash": "7333098661269614426446114431173404065099551033769513776041437605261675423773765473798916074819061709216240278992847960752615749527823431429606748661573729", "id": "MD_7333098661269614426446114"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1001691941727450651448411
|
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| 2025-04-16T21:13:40
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.301607
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0
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[
0,
0,
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| null | null | null | null | null | 0.204993
| 0.138851
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CO_1067131764465100516432674
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[
true,
true,
true
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I6S4Sb2Sn4
|
I3S2SbSn2
|
A3B2C2D
|
[
"I",
"S",
"Sb",
"Sn"
] |
[
0.375,
0.25,
0.125,
0.25
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[
50,
50,
50,
50,
51,
51,
16,
16,
16,
16,
53,
53,
53,
53,
53,
53
] | 16
| 4
| 0
|
[
0,
0,
0
] |
[
"id_prop_264725"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7255/MD_3131512084104254707307255.json
| null |
{"jid": "JVASP-144651_main-0", "hash": "3131512084104254707307255945476478206253653221914304399831413090204188875801906781124452882468128488238123656749077376782513828876264027505011791908174395", "id": "MD_3131512084104254707307255"}
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|
PO_1001657354201091240230626
|
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| 2025-04-16T16:09:11
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.018993
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[
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0,
0,
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[
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[
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0,
0
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[
0,
-4.52277529,
0
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[
0,
0,
-4.14754944
]
] | false
| null | null | null | null | null | 0.060242
| 0.030121
| null |
CO_7186770482121772101904314
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[
0,
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[
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0,
0,
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[
1.667157,
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[
true,
true,
true
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BeOsSr2
|
BeOsSr2
|
A2BC
|
[
"Be",
"Os",
"Sr"
] |
[
0.25,
0.25,
0.5
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[
38,
38,
4,
76
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_300634"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9397/MD_4530737184906801034039397.json
| null |
{"jid": "JVASP-71291_main-0", "hash": "4530737184906801034039397208026622972751257075901446343068303520819810634162662970062657739147054240877245920294776534807093578305403167499900048570882075", "id": "MD_4530737184906801034039397"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001665047507220827489291
|
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| 2025-04-16T16:49:28
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.500075
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[
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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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[
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[
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0,
0
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[
0,
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0
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[
0,
0,
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]
] | false
| null | null | null | null | null | 0.084031
| 0.031372
| null |
CO_7324065570286504608351893
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[
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0
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[
0,
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6.8117655
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[
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[
2.008653365,
0,
1.629072205800075
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] |
[
true,
true,
true
] |
Ga2O5U2
|
Ga2O5U2
|
A5B2C2
|
[
"Ga",
"O",
"U"
] |
[
0.2222222222222222,
0.5555555555555556,
0.2222222222222222
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[
92,
92,
31,
31,
8,
8,
8,
8,
8
] | 9
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_31874"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2260/MD_1481193375907570900212260.json
| null |
{"jid": "JVASP-39582_main-2", "hash": "148119337590757090021226088573650930515244827964156450264043552400035980182904457833790225322838770384037159086964063555876582076239944295957050631612052", "id": "MD_1481193375907570900212260"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001674848260244603724384
|
10016748482602446037243843473984842090558486838627093758480708368584747969445611595229988689612523267603148572889529291587812881086777315344925975592384450
| 2025-04-16T21:38:17
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.936309
|
[
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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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[
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[
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0,
0
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[
0,
0.53267822,
0
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[
0,
0,
0.53267822
]
] | false
| null | null | null | null | null | 0.001875
| 0.001125
| null |
CO_5841743161260968319474719
|
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[
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[
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[
0,
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[
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6.753614438493222
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[
3.899201112388582,
1.0913226523083202,
4.033327241506778
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] |
[
true,
true,
true
] |
F6GaLi3
|
F6GaLi3
|
A6B3C
|
[
"F",
"Ga",
"Li"
] |
[
0.6,
0.1,
0.3
] |
[
3,
3,
3,
31,
9,
9,
9,
9,
9,
9
] | 10
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_167753"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3216/MD_3797774794586454300103216.json
| null |
{"jid": "JVASP-101480_main-5", "hash": "3797774794586454300103216841129012275417107375928668711658244454498738661925710776248218409719378835465113227149631491026070468701545933937955110602785425", "id": "MD_3797774794586454300103216"}
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PO_1001601553927156057562862
|
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| 2025-04-16T18:44:03
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.674932
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[
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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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[
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[
0,
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] | false
| null | null | null | null | null | 0
| 0
| null |
CO_1317759226636062828721150
|
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0,
0,
0
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[
true,
true,
true
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Co2NbZn
|
Co2NbZn
|
A2BC
|
[
"Co",
"Nb",
"Zn"
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[
0.5,
0.25,
0.25
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[
41,
30,
27,
27
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_130494"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3882/MD_5461395016294297578483882.json
| null |
{"jid": "JVASP-79916_main-2", "hash": "5461395016294297578483882429790273528462603862319338190598045035101249537026052834983531816310710705383868575985630074262501678299256909429402521949501238", "id": "MD_5461395016294297578483882"}
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PO_1001874815851151180505103
|
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| 2025-04-16T16:10:20
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.410621
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0,
0
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[
0,
1.54961557,
0
],
[
0,
0,
1.54961557
]
] | false
| null | null | null | null | null | 0.018224
| 0.018224
| null |
CO_9666058123718626533999157
|
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]
] |
[
true,
true,
true
] |
N4
|
N
|
A
|
[
"N"
] |
[
1
] |
[
7,
7,
7,
7
] | 4
| 1
| 0
|
[
0,
0,
0
] |
[
"id_prop_74170"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8977/MD_1054997516213955980278977.json
| null |
{"jid": "JVASP-25416_main-3", "hash": "10549975162139559802789770475294560893809407123376251977299822965406628806216552935112527294813716814510147956242806901189790886146156410525749940394420256", "id": "MD_1054997516213955980278977"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1001878070869854765690019
|
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| 2025-04-16T19:00:55
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.375265
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[
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0,
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0,
0
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[
0,
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0
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[
0,
0,
-0.53352914
]
] | false
| null | null | null | null | null | 0.010647
| 0.006184
| null |
CO_8796764231965643764481521
|
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[
true,
true,
true
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Pt4Se6Tl2
|
Pt2Se3Tl
|
A3B2C
|
[
"Pt",
"Se",
"Tl"
] |
[
0.3333333333333333,
0.5,
0.16666666666666666
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[
81,
81,
78,
78,
78,
78,
34,
34,
34,
34,
34,
34
] | 12
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_12607"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0291/MD_3769469502661052524960291.json
| null |
{"jid": "JVASP-29338_main-18", "hash": "3769469502661052524960291344807466210712367504925585814733582571260946534565101091416394904544636687052536851043611820667009022682703159141704050881148618", "id": "MD_3769469502661052524960291"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001815132767346894611150
|
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| 2025-04-16T16:25:53
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.59362
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[
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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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[
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[
0,
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[
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0,
0
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[
0,
-8.54574284,
0
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[
0,
0,
-8.54574275
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] | false
| null | null | null | null | null | 0
| 0
| null |
CO_1069768249046755888540106
|
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[
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[
0,
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5.342342
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[
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[
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4.0067565
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[
2.3133015,
0,
4.0067565
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] |
[
true,
true,
true
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Er2Ir4
|
ErIr2
|
A2B
|
[
"Er",
"Ir"
] |
[
0.3333333333333333,
0.6666666666666666
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[
68,
68,
77,
77,
77,
77
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_79008"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7296/MD_7350481205491770138127296.json
| null |
{"jid": "JVASP-19731_main-0", "hash": "7350481205491770138127296623907086698879128510959951532059361853214153344366845023699868005199858805466377933420014470028850369961349568276181010988957534", "id": "MD_7350481205491770138127296"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001849448298715321487457
|
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| 2025-04-16T21:38:17
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | 0.165964
|
[
[
0,
0,
0
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[
0,
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0
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[
0,
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[
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[
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[
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0,
0
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[
0,
0.07652793,
0
],
[
0,
0,
-0.39185594
]
] | false
| null | null | null | null | null | 0.008454
| 0.005636
| null |
CO_2111928155325106487100656
|
2111928155325106487100656791969141798440937194675159560795433215624344253013742378072613830326611924387655996776040534622976564005569010536814085114240847
|
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[
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[
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[
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] |
[
true,
true,
true
] |
In4Sr2
|
In2Sr
|
A2B
|
[
"In",
"Sr"
] |
[
0.6666666666666666,
0.3333333333333333
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[
38,
38,
49,
49,
49,
49
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_81372"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1382/MD_1335475961698558512901382.json
| null |
{"jid": "JVASP-17594_main-6", "hash": "13354759616985585129013821954135336653393317624738725611637203382784455820225998050624610252542047025300422940635832706742335915382454186603106190077380577", "id": "MD_1335475961698558512901382"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001880401242390607451038
|
10018804012423906074510388795598578778147311089701888909120894824906177285444394517346199357106298795160640553117768311255566322011432635632483735932403331
| 2025-04-16T21:57:13
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.321718
|
[
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0,
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[
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[
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[
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[
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[
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[
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0,
0
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[
0,
-16.08791462,
0
],
[
0,
0,
-29.08733769
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_1196022065779480503266501
|
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[
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[
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[
4.80920025,
1.60306675,
4.88133825
]
] |
[
true,
true,
true
] |
Mn4Rh8Tm4
|
MnRh2Tm
|
A2BC
|
[
"Mn",
"Rh",
"Tm"
] |
[
0.25,
0.5,
0.25
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[
69,
69,
69,
69,
25,
25,
25,
25,
45,
45,
45,
45,
45,
45,
45,
45
] | 16
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_36428"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1508/MD_1137446372196187236061508.json
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DS_720rbshv96l1_0
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DS_720rbshv96l1_0
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DS_720rbshv96l1_0
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true
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N3PZn
|
N3PZn
|
A3BC
|
[
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"P",
"Zn"
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[
0.6,
0.2,
0.2
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[
30,
15,
7,
7,
7
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| 3
| 0
|
[
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0
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/8403/MD_1100405726284490526618403.json
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PO_1001825438501829124894113
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| 2025-04-16T21:40:11
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DS_720rbshv96l1_0
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VASP
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CO_3682686327290296620655563
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H12AlO12SbZn2
|
AlH12O12SbZn2
|
A12B12C2DE
|
[
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| 5
| 0
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4819/MD_6705561441708317390974819.json
| null |
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PO_1001895421113077475509388
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| 2025-04-16T16:55:04
|
DS_720rbshv96l1_0
| 1
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VASP
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CO_2101850778328676472659687
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Br6U2
|
Br3U
|
A3B
|
[
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[
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0.25
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[
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35,
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35,
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| 2
| 0
|
[
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0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5779/MD_8838145318466214829625779.json
| null |
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PO_1001881109230605167783874
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| 2025-04-16T16:30:02
|
DS_720rbshv96l1_0
| 1
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VASP
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CO_9733509300368390052992428
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C14H12N4O2
|
C7H6N2O
|
A7B6C2D
|
[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8082/MD_1343295339543381056098082.json
| null |
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PO_1001859905754190681540337
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| 2025-04-16T20:14:25
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DS_720rbshv96l1_0
| 1
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VASP
| null | -6.980542
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O14V4Y4
|
O7V2Y2
|
A7B2C2
|
[
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[
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0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3708/MD_3252559340684777640633708.json
| null |
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PO_1001849631143794039600300
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| 2025-04-16T20:11:06
|
DS_720rbshv96l1_0
| 1
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VASP
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F6Rb2Sn
|
F6Rb2Sn
|
A6B2C
|
[
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[
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[
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| 3
| 0
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[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4740/MD_1052545458562053870414740.json
| null |
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PO_1001824606583243560913472
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| 2025-04-16T18:14:17
|
DS_720rbshv96l1_0
| 1
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VASP
| null | -1.040241
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| null | null | null | null | null | 0.013027
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CO_6961894424200498377926745
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true
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Br3PbRb
|
Br3PbRb
|
A3BC
|
[
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[
0.6,
0.2,
0.2
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[
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82,
35,
35,
35
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| 3
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5152/MD_7490485797755621540985152.json
| null |
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PO_1001867718526056936374188
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| 2025-04-16T19:06:05
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.50012
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| null | null | null | null | null | 0.086601
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CO_3605338025593387358247216
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true
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MgScSe
|
MgScSe
|
ABC
|
[
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[
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[
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34
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| 3
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|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3218/MD_5551146351783820605573218.json
| null |
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PO_1001778403036742859240531
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| 2025-04-16T17:47:41
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.520479
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CO_1087366044000895846889206
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Li4Mn4O16P4
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LiMnO4P
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A4BCD
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/0021/MD_9873868769671567524580021.json
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PO_1001744784255649975161494
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| 2025-04-16T17:30:41
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DS_720rbshv96l1_0
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VASP
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Ag4Hg2I8
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Ag2HgI4
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A4B2C
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/5776/MD_1131610601178454689965776.json
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PO_1001700452706249343806410
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| 2025-04-16T17:30:41
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DS_720rbshv96l1_0
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VASP
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Cd2Cu4Ge2S8
|
CdCu2GeS4
|
A4B2CD
|
[
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[
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| 4
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|
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7661/MD_2335488083893673648567661.json
| null |
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PO_1001739876936642233215707
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| 2025-04-16T18:36:30
|
DS_720rbshv96l1_0
| 1
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VASP
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true
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HoK3
|
HoK3
|
A3B
|
[
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[
0.25,
0.75
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[
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19,
19,
19
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| 2
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9901/MD_9934784890381683118519901.json
| null |
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PO_1001710671354819441917476
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| 2025-04-16T21:37:17
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.568881
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CO_1010071734479911360079254
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true
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As4Mn4
|
AsMn
|
AB
|
[
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[
0.5,
0.5
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[
25,
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33,
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| 2
| 0
|
[
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0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5441/MD_5130676297465343175575441.json
| null |
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PO_1001772068638477362157926
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| 2025-04-16T20:15:15
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.969742
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data/MD/3981/MD_1102457561521851557353981.json
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DS_720rbshv96l1_0
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AB
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data/MD/2419/MD_1089934353666463425642419.json
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DS_720rbshv96l1_0
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data/MD/5147/MD_8365930532057747304145147.json
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| 2025-04-17T18:48:22
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DS_720rbshv96l1_0
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VASP
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Fe4I12K4
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FeI3K
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A3BC
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6580/MD_9964253144934197181866580.json
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PO_1001725103857083599461649
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| 2025-04-16T21:27:46
|
DS_720rbshv96l1_0
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VASP
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true,
true,
true
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C11H20O4Ti
|
C11H20O4Ti
|
A20B11C4D
|
[
"C",
"H",
"O",
"Ti"
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[
0.3055555555555556,
0.5555555555555556,
0.1111111111111111,
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1,
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6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
8,
8,
8,
8
] | 36
| 4
| 0
|
[
0,
0,
0
] |
[
"id_prop_171040"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5387/MD_3041437153535335255685387.json
| null |
{"jid": "JVASP-112026_main-250", "hash": "3041437153535335255685387445782281752683900193007537152867446182114415527545965321760865582546879108000989917630678022512116581897961247376346276589709574", "id": "MD_3041437153535335255685387"}
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PO_1001782096831726637107999
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| 2025-04-16T17:31:19
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.042124
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0
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[
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0,
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CO_1255730996977754316771508
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[
true,
true,
true
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Cd3Cu3Pr3
|
CdCuPr
|
ABC
|
[
"Cd",
"Cu",
"Pr"
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[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
48,
48,
48,
29,
29,
29,
59,
59,
59
] | 9
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_305962"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5613/MD_1487263981434709355545613.json
| null |
{"jid": "JVASP-150432_main-9", "hash": "1487263981434709355545613092800522344074261750889894286403317824292086671827787384689153951824702348603712303465337438523369768380627957687677944375009158", "id": "MD_1487263981434709355545613"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001709585089124766749300
|
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| 2025-04-16T16:10:07
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.662354
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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,
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] | false
| null | null | null | null | null | 0.001164
| 0.000639
| null |
CO_8746552489149595433933209
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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,
true,
true
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Sb5Th
|
Sb5Th
|
A5B
|
[
"Sb",
"Th"
] |
[
0.8333333333333334,
0.16666666666666666
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[
90,
51,
51,
51,
51,
51
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_245759"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0223/MD_1287497619753656417080223.json
| null |
{"jid": "JVASP-124706_main-28", "hash": "12874976197536564170802232563661406089368219481166337776444885866701589697547346729891134257142732039771030726185552129570624404750230665364015679172448931", "id": "MD_1287497619753656417080223"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001758510141811504689168
|
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| 2025-04-16T21:13:01
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.528829
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[
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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,
0,
0
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[
[
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0,
0
],
[
0,
-7.34517228,
0
],
[
0,
0,
-7.34517228
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_1288631456654261770218830
|
12886314566542617702188309284383291559976649492789690975645212240866331802373813446847125972987624802449692106745120978094838996115499470602056893237248255
|
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[
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[
0,
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[
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0,
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[
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0
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[
0,
0,
0
]
] |
[
true,
true,
true
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CrSr3
|
CrSr3
|
A3B
|
[
"Cr",
"Sr"
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[
0.25,
0.75
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[
38,
38,
38,
24
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_37265"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5108/MD_1229764539503363148315108.json
| null |
{"jid": "JVASP-37600_main-0", "hash": "12297645395033631483151089228031197746442575389701125799984974789305176299851497874947095034219725195469965425964246138532532561473714212454863575784790028", "id": "MD_1229764539503363148315108"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001725050568899913862857
|
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| 2025-04-16T22:03:29
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.857859
|
[
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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] |
[
[
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0,
0
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[
0,
-100.57062112,
0
],
[
0,
0,
-100.57062112
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_8472691723078432634035117
|
8472691723078432634035117906230986203180274289432014387545429115156684935074312983991266256464436568260983438839600732592993420651823068600561700393232129
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|
[
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[
0,
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[
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[
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[
-2.81533794,
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]
] |
[
true,
true,
true
] |
MnNiP
|
MnNiP
|
ABC
|
[
"Mn",
"Ni",
"P"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
25,
28,
15
] | 3
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_128067"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1908/MD_2555470379095529258721908.json
| null |
{"jid": "JVASP-78826_main-1", "hash": "2555470379095529258721908876540528923115757494280166707165490494839394636553479282843610478783455153770388136919300470874946511426783672234726962644228018", "id": "MD_2555470379095529258721908"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001749918600054265361528
|
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| 2025-04-16T18:08:14
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.179492
|
[
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[
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[
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0
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[
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0
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[
0,
0,
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] | false
| null | null | null | null | null | 1.094934
| 0.296271
| null |
CO_6412531225593966877178419
|
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O20Si4Yb8
|
O5SiYb2
|
A5B2C
|
[
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| 3
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|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8365/MD_2067932243073677109768365.json
| null |
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PO_1001743892544420560546646
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| 2025-04-16T21:51:00
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DS_720rbshv96l1_0
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VASP
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CO_1192965944076553091493976
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HfSe2
|
HfSe2
|
A2B
|
[
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[
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[
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| 2
| 0
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[
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0
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2139/MD_7262037183249458865222139.json
| null |
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PO_1001749864123899289330146
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| 2025-04-16T17:50:00
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DS_720rbshv96l1_0
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VASP
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| null | null | null | null | null | 0.000232
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CO_3432779513899700430118126
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Rh2Si2Th
|
Rh2Si2Th
|
A2B2C
|
[
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[
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[
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45,
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90
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| 3
| 0
|
[
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0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2420/MD_2769671892794894225742420.json
| null |
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PO_1001723623892717326648580
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| 2025-04-17T18:16:17
|
DS_720rbshv96l1_0
| 1
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VASP
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| null | null | null | null | null | 0
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CO_3392359185843331975087519
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[
true,
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true
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Mn4Pt4Sb4
|
MnPtSb
|
ABC
|
[
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[
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78,
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| 3
| 0
|
[
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0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2131/MD_1266535861267495855902131.json
| null |
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PO_1001792588024712296753619
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| 2025-04-16T21:22:14
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.101893
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[
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[
0,
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| null | null | null | null | null | 0
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| null |
CO_1106405108885801872740741
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[
true,
true,
true
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Rh3Se
|
Rh3Se
|
A3B
|
[
"Rh",
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[
0.75,
0.25
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[
34,
45,
45,
45
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| 2
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4722/MD_5604619960563516565674722.json
| null |
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PO_1001789785509258583429700
|
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| 2025-04-17T18:06:06
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.636044
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CO_2018228349076959054233092
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Co4O8Rb10
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Co2O4Rb5
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A5B4C2
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8514/MD_1223359453965680908108514.json
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PO_1001767214716651715757638
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DS_720rbshv96l1_0
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VASP
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Cr4F12O4
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CrF3O
|
A3BC
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/1280/MD_3061776516455038892441280.json
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PO_1001768842050984555421651
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| 2025-04-16T15:44:14
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DS_720rbshv96l1_0
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VASP
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true
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Be2Bi2Y4
|
BeBiY2
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A2BC
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[
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[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9908/MD_5678171752447625977249908.json
| null |
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PO_1001784141612114882123155
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| 2025-04-16T17:27:48
|
DS_720rbshv96l1_0
| 1
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VASP
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Hg4O8S2
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Hg2O4S
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A4B2C
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[
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| 3
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6863/MD_3366610206895461866406863.json
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PO_1001715078609664720108172
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| 2025-04-16T21:44:51
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DS_720rbshv96l1_0
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VASP
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Ge2Li4O10V2
|
GeLi2O5V
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A5B2CD
|
[
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0.1111111111111111,
0.2222222222222222,
0.5555555555555556,
0.1111111111111111
] |
[
3,
3,
3,
3,
23,
23,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 18
| 4
| 0
|
[
0,
0,
0
] |
[
"id_prop_113812"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4465/MD_9912653693878163779064465.json
| null |
{"jid": "JVASP-11672_main-0", "hash": "9912653693878163779064465627462096530467473606857887641074720225022443166876993367498283130910224426587721969410155987830339852553096075535788524261038635", "id": "MD_9912653693878163779064465"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001760569064152821568019
|
10017605690641528215680191737210831363885557509525304215993388061598087139252772400897171941942034241574377014024610896382416514590313922113220555782022894
| 2025-04-16T17:58:24
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.169526
|
[
[
0,
0,
0
],
[
0,
0,
0.06445188
],
[
0,
0,
-0.06445188
],
[
0,
0,
0
]
] |
[
[
-10.84300896,
0,
0
],
[
0,
-10.84300896,
0
],
[
0,
0,
-2.01181089
]
] | false
| null | null | null | null | null | 0.064452
| 0.032226
| null |
CO_2721756988064422168776542
|
2721756988064422168776542884850636026459788659322227817416245618679375848150521649411231268577614070744668817992694932584660300524773252604081596985531226
|
7549555637174860832608616429302978729848355360035054977089581763168451124022359107091503264027812400273187495509612953737626301379348683235080774136011863
|
[
[
2.706842,
0,
0
],
[
0,
2.706842,
0
],
[
0,
0,
6.016712
]
] |
[
[
1.353421,
1.353421,
0
],
[
0,
0,
4.558104576688
],
[
0,
0,
1.458607423312
],
[
1.353421,
1.353421,
3.008356
]
] |
[
true,
true,
true
] |
Be2LiTc
|
Be2LiTc
|
A2BC
|
[
"Be",
"Li",
"Tc"
] |
[
0.5,
0.25,
0.25
] |
[
3,
4,
4,
43
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_296713"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8652/MD_6938358762310051806858652.json
| null |
{"jid": "JVASP-69472_main-0", "hash": "6938358762310051806858652286534530257247852582685586819672259340414701347719518561628617333348006314888543782237956525402383099926149673381355061737882835", "id": "MD_6938358762310051806858652"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001744044983993205410520
|
10017440449839932054105201585904279317855625214024496547255329241927934307350657373775414226504001458534002383928771974308701954396424823564147626633175201
| 2025-04-16T20:58:52
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.462967
|
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
-0.21641986,
0,
0
],
[
0,
-0.21641986,
0
],
[
0,
0,
-0.21641986
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_7542598705357793839901918
|
7542598705357793839901918830328604631045289900251916550748530794750067214258764905672919063753131827995553629634968624347825493964290192579948184311159120
|
3624472680969316937093785011865461584757952241026613962907378892230144562962631040778838453751050041323967908780006404634745236905212056511035303754438521
|
[
[
0,
3.205824,
3.205824
],
[
3.205824,
0,
3.205824
],
[
3.205824,
3.205824,
0
]
] |
[
[
1.602912,
1.602912,
1.602912
],
[
0,
0,
0
],
[
3.205824,
3.205824,
3.205824
]
] |
[
true,
true,
true
] |
NbOsPb
|
NbOsPb
|
ABC
|
[
"Nb",
"Os",
"Pb"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
41,
76,
82
] | 3
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_54581"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3605/MD_3979187846182899890283605.json
| null |
{"jid": "JVASP-51150_main-0", "hash": "3979187846182899890283605844710041489458077507486400070695876448037439205209632394949999626428429747143908326603429356449125578778763463421017257716785954", "id": "MD_3979187846182899890283605"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001773899407602470358460
|
10017738994076024703584603407233723249375775317721038593281588202684914699716378496666549020669265799311277796806305136752638168340300720967417149281710409
| 2025-04-16T16:51:12
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.875013
|
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0359286,
0,
-0.04059933
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[
0.03592861,
0,
0.04059933
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[
0,
-0.0359286,
0.04059933
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[
0,
0.03592859,
0.04059933
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[
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0,
0.04059933
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[
-0.03592861,
0,
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],
[
0,
0.0359286,
-0.04059933
],
[
0,
-0.03592859,
-0.04059933
]
] |
[
[
-14.08471112,
0,
-0.00000175
],
[
0,
-14.08470289,
0.00000175
],
[
-0.00000175,
0.00000175,
-17.12092877
]
] | false
| null | null | null | null | null | 0.054214
| 0.030979
| null |
CO_1180492923056940022119172
|
11804929230569400221191721334888138260340726960637186583467277608439428006740228665825097240348210460624944213538441218552035525799099839884236063763523086
|
7793234010462437805487846140114729857033945822578674982614532844970707953051175101597411389277457601161557181561835567844991426559384147697318987171675181
|
[
[
0,
6.846327,
0
],
[
3.423165,
-3.423164,
4.90413
],
[
6.846329,
0,
0
]
] |
[
[
3.423164625,
1.711581625,
1.2260325
],
[
3.423164625,
5.134745124999999,
1.2260325
],
[
5.134747125,
-3.7499999994139444e-7,
3.6780975000000002
],
[
8.557911625,
-3.7499999994139444e-7,
3.6780975000000002
],
[
6.846329000001,
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0.00000980826
],
[
6.846329249999,
3.4231632500009996,
2.45205519174
],
[
1.870595227098,
-1.3974400006361658e-7,
1.37064548544
],
[
1.8705951976100001,
3.423163389744,
1.08141951456
],
[
3.423161437093,
1.552578868331,
3.5334992269500005
],
[
3.423161437093,
-1.5525795888460001,
3.5334992269500005
],
[
4.975734022902,
3.423163389744,
1.08141951456
],
[
4.97573405239,
-1.3974400006361658e-7,
1.37064548544
],
[
6.846332812907,
-1.5525796183309999,
3.82269577305
],
[
6.846332812907,
1.5525788388459998,
3.82269577305
]
] |
[
true,
true,
true
] |
Ca2O8Tb4
|
CaO4Tb2
|
A4B2C
|
[
"Ca",
"O",
"Tb"
] |
[
0.14285714285714285,
0.5714285714285714,
0.2857142857142857
] |
[
65,
65,
65,
65,
20,
20,
8,
8,
8,
8,
8,
8,
8,
8
] | 14
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_49239"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3700/MD_7506862716601570588843700.json
| null |
{"jid": "JVASP-50015_main-0", "hash": "7506862716601570588843700223487477664411128778727089378466191708356113452173375494037728317640872344134092736230408168473666203778334324365727329900788", "id": "MD_7506862716601570588843700"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001700024509137658975021
|
10017000245091376589750215185653668850583352102337103565944938124748868142334145373466256133312945161891603507340285121173538581240529906583320318199270750
| 2025-04-16T21:37:22
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.374314
|
[
[
0,
0.00018636,
0
],
[
0,
-0.00018636,
0
],
[
0,
0.00018636,
0
],
[
0,
-0.00018636,
0
],
[
0,
0.00071589,
0
],
[
0,
-0.00071589,
0
],
[
0,
0.00071589,
0
],
[
0,
-0.00071589,
0
]
] |
[
[
-0.09897757,
0,
0
],
[
0,
-0.02737626,
0
],
[
0,
0,
0.00214158
]
] | false
| null | null | null | null | null | 0.000716
| 0.000451
| null |
CO_9798742727537449056610624
|
9798742727537449056610624646314590786496646803533178117303921475864174998246465543963014212728728402614735579854104413871670117067661198157510871883061736
|
3880251417066480792040903867675491355384485439887235346478924462909121403607471699820625174623418979961881298816914795494467092944716173347885348548181585
|
[
[
4.284709,
0,
0
],
[
0,
10.756913,
0
],
[
0,
0,
3.987104
]
] |
[
[
0,
1.480129714974,
2.990328
],
[
0,
9.276783285026001,
0.996776
],
[
2.1423545,
6.858586214974,
2.990328
],
[
2.1423545,
3.898326785026,
0.996776
],
[
2.1423545,
0.9353673699150001,
0.996776
],
[
2.1423545,
9.821545630085001,
2.990328
],
[
0,
6.313823869915001,
0.996776
],
[
0,
4.443089130085,
2.990328
]
] |
[
true,
true,
true
] |
Ge4Tb4
|
GeTb
|
AB
|
[
"Ge",
"Tb"
] |
[
0.5,
0.5
] |
[
65,
65,
65,
65,
32,
32,
32,
32
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_78820"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7046/MD_5646571207456672436537046.json
| null |
{"jid": "JVASP-19700_elast-0", "hash": "5646571207456672436537046477795511205167069217449468265705475857842150852877070012211727609892102434690385598847285327514498669454809454428031419065299857", "id": "MD_5646571207456672436537046"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001776511869108327462704
|
10017765118691083274627040835349789729474239253014787478848505461152717818978590231542197887759664068943245876038560050684061634710858560001920964341537423
| 2025-04-16T21:44:51
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.628566
|
[
[
0.50889371,
-0.26559113,
-0.20612706
],
[
2.51397559,
-0.07937716,
-0.78175252
],
[
-0.2617858,
-0.29005759,
0.81523636
],
[
-0.2145911,
0.42001541,
-0.12147718
],
[
-2.5464924,
0.21501047,
0.29412041
]
] |
[
[
157.03231559,
-17.322588,
-14.73072508
],
[
-17.32258879,
172.42373474,
-4.94915167
],
[
-14.73072381,
-4.94915235,
175.16768938
]
] | false
| null | null | null | null | null | 2.633916
| 1.441468
| null |
CO_1012002905676891415688241
|
10120029056768914156882418498046398148636546657282415264550091987274832904258656817710827538115458149974404041673005532809149030251260241285010346921037549
|
3558434837149041923069153619790240806644391028862016915991912997557458757845105770459416365506907505468350088918207657669334523342122180985053889615984912
|
[
[
3.91821,
0,
0
],
[
-0.436501,
3.903074,
0
],
[
-0.406022,
-0.447737,
3.881838
]
] |
[
[
0.7154763099560002,
1.824997315331,
2.087563194126
],
[
-0.6278778432312799,
3.3196335586091203,
3.802594159068
],
[
0.18453500111700005,
-0.179952590763,
1.84723083987
],
[
0.15522460409000002,
1.79872643828,
0.0768603924
],
[
1.4791796547150002,
3.16984725324,
3.617818670268
]
] |
[
true,
true,
true
] |
MgO3W
|
MgO3W
|
A3BC
|
[
"Mg",
"O",
"W"
] |
[
0.2,
0.6,
0.2
] |
[
12,
74,
8,
8,
8
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_123186"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1421/MD_4780178324803158334751421.json
| null |
{"jid": "JVASP-8391_elast-22", "hash": "4780178324803158334751421009973152851339837983394102386796319922166732456659269139071869588267620689250249004040091745193682805114734891501054523210328937", "id": "MD_4780178324803158334751421"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001735553163127420138508
|
1001735553163127420138508753454289293196310099175624615273956255374424284979231459239641274221714898574280818895845720872021347641410937772068251449507549
| 2025-04-16T18:09:37
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.10604
|
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0.07135392,
0.07135392,
0
],
[
0.07135392,
-0.07135392,
0
],
[
-0.07135392,
0.07135392,
0
],
[
-0.07135392,
-0.07135392,
0
]
] |
[
[
22.16998832,
0,
0
],
[
0,
22.16998832,
0
],
[
0,
0,
64.33097637
]
] | false
| null | null | null | null | null | 0.10091
| 0.067273
| null |
CO_7626844230592433700454759
|
7626844230592433700454759337594239222462707726652587058615885072092690324954173174986836190097250325415654782966136739322302999445497221068228653092580470
|
877127556468272898714683222721622764553221341561679612950860318885855179345023293504949630882136290361292264224963592523827454621877055475864919417155136
|
[
[
4.807873,
0,
0
],
[
0,
4.807873,
0
],
[
0,
0,
3.19681356
]
] |
[
[
2.4039365,
2.4039365,
1.59840678
],
[
0,
0,
0
],
[
3.33599075978,
3.33599075978,
0
],
[
0.93205425978,
3.8758187402199997,
1.59840678
],
[
3.8758187402199997,
0.93205425978,
1.59840678
],
[
1.47188224022,
1.47188224022,
0
]
] |
[
true,
true,
true
] |
O4Sn2
|
O2Sn
|
A2B
|
[
"O",
"Sn"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
50,
50,
8,
8,
8,
8
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_6437"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8101/MD_8090791420045157905068101.json
| null |
{"jid": "JVASP-22567_elast-6", "hash": "8090791420045157905068101999646595091555589014571090386675443295880824405033704179504421587564035603612562282126944117021208394092417501628430613114047836", "id": "MD_8090791420045157905068101"}
|
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PO_1001784927601029262487908
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| 2025-04-16T17:06:25
|
DS_720rbshv96l1_0
| 1
|
VASP
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| null | null | null | null | null | 0.002244
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CO_8947300378827568588371751
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[
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true
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F6LiV
|
F6LiV
|
A6BC
|
[
"F",
"Li",
"V"
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[
0.75,
0.125,
0.125
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[
3,
23,
9,
9,
9,
9,
9,
9
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| 3
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4776/MD_8506810998393390315864776.json
| null |
{"jid": "JVASP-92254_elast-0", "hash": "8506810998393390315864776017716187726262301696686223078714817104856705653146307655545256062615761804523085235236304743516886984969541063849933457737657821", "id": "MD_8506810998393390315864776"}
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PO_1001754281695127961778518
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| 2025-04-16T16:56:48
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.169734
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[
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[
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| null | null | null | null | null | 0
| 0
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CO_3184737403453067904758259
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[
true,
true,
true
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WYb3
|
WYb3
|
A3B
|
[
"W",
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[
0.25,
0.75
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[
70,
70,
70,
74
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| 2
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2680/MD_1331539805685917369402680.json
| null |
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PO_1001708551477506658389012
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| 2025-04-16T18:08:08
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.882941
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0
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[
0,
25.78102753,
0
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[
0,
0,
30.53505732
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] | false
| null | null | null | null | null | 1.65721
| 0.944587
| null |
CO_9705498806867613541880816
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[
true,
true,
true
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BeGeSe2
|
BeGeSe2
|
A2BC
|
[
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"Se"
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[
0.25,
0.25,
0.5
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[
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32,
34,
34
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| 3
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1629/MD_6456586154685930364341629.json
| null |
{"jid": "JVASP-71162_main-0", "hash": "645658615468593036434162900069147057315058101274021621810733923115481279972490094559082031213492827862733529958379355195103162432731145535531236480889460", "id": "MD_6456586154685930364341629"}
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PO_1001921811627119386066524
|
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| 2025-04-16T17:13:47
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.248637
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[
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0
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[
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0
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[
0,
0,
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] | false
| null | null | null | null | null | 0.011748
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CO_8882743719822395990855407
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[
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[
true,
true,
true
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P2Sb6Zr10
|
PSb3Zr5
|
A5B3C
|
[
"P",
"Sb",
"Zr"
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[
0.1111111111111111,
0.3333333333333333,
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[
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40,
40,
40,
40,
40,
40,
40,
51,
51,
51,
51,
51,
51,
15,
15
] | 18
| 3
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9884/MD_3078508725710744711569884.json
| null |
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PO_1001945309593238493603675
|
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| 2025-04-16T17:21:07
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.692086
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[
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[
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[
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0.2050253
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] | false
| null | null | null | null | null | 0.002357
| 0.001178
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CO_1243700499619829794645455
|
12437004996198297946454555203557893833293548328981000829161704429382979879809657294731502838159203503486244570994244778774203438065788696011309114278172417
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[
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[
2.339701837184287,
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[
true,
true,
true
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HCoO2
|
CoHO2
|
A2BC
|
[
"Co",
"H",
"O"
] |
[
0.25,
0.25,
0.5
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[
27,
1,
8,
8
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
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] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8776/MD_1155212414649070411098776.json
| null |
{"jid": "JVASP-109814_main-9", "hash": "11552124146490704110987769664607953741655742037476834425669029584069807442201887304126976322235344462672615766127773559122411653190111166235039807551896754", "id": "MD_1155212414649070411098776"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1001903246182133837851416
|
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| 2025-04-16T18:55:31
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.252864
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[
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[
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[
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[
1.1e-7,
4e-8,
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| null | null | null | null | null | 0.179132
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CO_2349684764858432580190079
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[
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[
0,
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] |
[
true,
true,
true
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Pt2Rb4S4
|
PtRb2S2
|
A2B2C
|
[
"Pt",
"Rb",
"S"
] |
[
0.2,
0.4,
0.4
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[
37,
37,
37,
37,
78,
78,
16,
16,
16,
16
] | 10
| 3
| 0
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/8106/MD_1827698408967679281668106.json
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PO_1001952103275366405944436
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DS_720rbshv96l1_0
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VASP
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H8Cl4O8Sm4
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ClH2O2Sm
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A2B2CD
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/5259/MD_4027159182717808003025259.json
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PO_1001973942808597074755081
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| 2025-04-16T21:09:01
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DS_720rbshv96l1_0
| 1
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VASP
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C6F12
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CF2
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A2B
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[
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| 2
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9370/MD_4180793290909060281479370.json
| null |
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PO_1001947902778074305901371
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| 2025-04-17T18:37:27
|
DS_720rbshv96l1_0
| 1
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VASP
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true
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Au2F8Rb2
|
AuF4Rb
|
A4BC
|
[
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[
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| 3
| 0
|
[
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0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5294/MD_7327949315088688959545294.json
| null |
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PO_1001904790609276744831547
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| 2025-04-16T16:28:27
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.855538
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| null | null | null | null | null | 0.043085
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CO_4014063020031297415108825
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CuHf2
|
CuHf2
|
A2B
|
[
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[
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[
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72
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| 2
| 0
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7892/MD_1100469487858603586037892.json
| null |
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PO_1001940300575630083332864
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| 2025-04-16T19:00:21
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.826987
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0,
0
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0,
0
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[
0,
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0
],
[
0,
0,
-6.45885988
]
] | false
| null | null | null | null | null | 0.020442
| 0.010221
| null |
CO_7736950902199538495433651
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0,
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[
0,
0,
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[
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[
true,
true,
true
] |
Be2CaTc
|
Be2CaTc
|
A2BC
|
[
"Be",
"Ca",
"Tc"
] |
[
0.5,
0.25,
0.25
] |
[
20,
4,
4,
43
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_300692"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6283/MD_2293482111150827000456283.json
| null |
{"jid": "JVASP-71308_main-0", "hash": "2293482111150827000456283383058943230794233435086486985747357039699924362582125902986726274797689970064939944487921128875214795957098071022747062601494812", "id": "MD_2293482111150827000456283"}
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|
PO_1001940629881266442754614
|
10019406298812664427546145720535767255129113706446833411326940900536422800186565956878398577561420819321965767616484023993345645357728622840819106112414139
| 2025-04-16T18:30:46
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.906745
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[
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[
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| null | null | null | null | null | 0.023976
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CO_4196567379193104706473885
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[
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4.250494790009829,
1.063810928355584
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[
true,
true,
true
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Cl8N2V2
|
Cl4NV
|
A4BC
|
[
"Cl",
"N",
"V"
] |
[
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
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[
23,
23,
7,
7,
17,
17,
17,
17,
17,
17,
17,
17
] | 12
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_3263"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0049/MD_5131743524589719011920049.json
| null |
{"jid": "JVASP-5404_main-91", "hash": "5131743524589719011920049543463875269348720481291882772320808994232378050078895525207540867525547331704649149601575391939763567663810436586785623308319423", "id": "MD_5131743524589719011920049"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001961859893594800101151
|
10019618598935948001011513693026123783706625057087474673372959911450937396826805895883880276307411109721513087161950721626621768858637802718690231151373561
| 2025-04-16T21:23:51
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.553918
|
[
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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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[
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0,
0
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[
0,
0.10719127,
0
],
[
0,
0,
0.10719127
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_1060600737986151096180643
|
10606007379861510961806434687334354136516403058576623309769251706143844861165236964713708176555852239636809619324326886025263332783014756313647451165548879
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|
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0,
3.82701616
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[
3.82701616,
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0
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[
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[
0,
0,
0
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[
3.82701616,
3.82701616,
3.82701616
]
] |
[
true,
true,
true
] |
DyMg2Pr
|
DyMg2Pr
|
A2BC
|
[
"Dy",
"Mg",
"Pr"
] |
[
0.25,
0.5,
0.25
] |
[
59,
66,
12,
12
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_25766"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4031/MD_2730039339153728639984031.json
| null |
{"jid": "JVASP-42027_main-1", "hash": "2730039339153728639984031599200858641348708535511739784486644177576799239887642655257939624449512252752872673116430628194842492780619262114998096211955997", "id": "MD_2730039339153728639984031"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001998874267724606955648
|
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| 2025-04-16T21:27:46
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.227067
|
[
[
0,
0,
0.0018136
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[
0,
0,
-0.00051222
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[
0,
0,
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[
[
0.05337849,
0,
0
],
[
0,
0.05337849,
0
],
[
0,
0,
0.11150443
]
] | false
| null | null | null | null | null | 0.001814
| 0.001209
| null |
CO_3145337288908403466029741
|
3145337288908403466029741957342697907879018850829231358943347757406328886898586375608742918396539036916327262369438178612181862934502613157819009311604507
|
6042841303011403269554752358858834795444283574032962983648981797669759605006705656048660244092565334668312211888190728702391968139428723199314158489750925
|
[
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0,
0
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[
0,
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0
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[
0,
0,
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[
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[
0,
0,
5.580216563900509
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[
0,
0,
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] |
[
true,
true,
true
] |
AgAuTe
|
AgAuTe
|
ABC
|
[
"Ag",
"Au",
"Te"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
47,
52,
79
] | 3
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_228634"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3186/MD_2740720795149404765733186.json
| null |
{"jid": "JVASP-138132_main-95", "hash": "2740720795149404765733186653480984260871402164749714617857303961663043024099202239335144974971961849958401712160712981163312393841933942853385667209372427", "id": "MD_2740720795149404765733186"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001965289677755843614375
|
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| 2025-04-16T17:39:34
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.958338
|
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] |
[
[
16.61961053,
0,
0
],
[
0,
16.41164922,
0
],
[
0,
0,
16.61727142
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_5405652266464922528528416
|
5405652266464922528528416779446698401895852493621321265058917032514390994951299051349378627446009558941224120288886024975385157121379365496700466952342527
|
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|
[
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0,
0
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[
0,
4.318235,
0
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[
0,
0,
4.983329
]
] |
[
[
2.19150426,
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[
2.19150426,
0,
0
],
[
0,
2.1591175,
0
],
[
0,
0,
2.4916645
]
] |
[
true,
true,
true
] |
BaFeLi2
|
BaFeLi2
|
A2BC
|
[
"Ba",
"Fe",
"Li"
] |
[
0.25,
0.25,
0.5
] |
[
56,
3,
3,
26
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_284644"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4235/MD_6456198854674759278824235.json
| null |
{"jid": "JVASP-69124_elast-1", "hash": "6456198854674759278824235488162229261562317590943724231819116933746636856039640695721176200925640113817826195791924381442549281947443168109150550355148351", "id": "MD_6456198854674759278824235"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001900510147991581052670
|
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| 2025-04-16T20:10:30
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.972984
|
[
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0.00219836,
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[
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[
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[
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[
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[
0.00152406,
0.00069906,
0.00006782
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[
0.00009867,
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[
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0.05268708,
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[
0.11784871,
0.0256938,
0.00868244
],
[
-0.2633523,
0.00868251,
0.03325042
]
] | false
| null | null | null | null | null | 0.047922
| 0.006504
| null |
CO_2103548970499872438157366
|
2103548970499872438157366048156008603690526448203359092613283390377670868951622775208673030026925381668824594040676699972658741123031508818978641512038493
|
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|
[
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0
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[
1.971528,
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0
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[
1.971481,
2.546651,
17.202607
]
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[
[
5.914853280614,
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12.743381618674
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[
1.971755719386,
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1.9721049162320001,
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[
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8.433976979085001,
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7.216530869972,
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[
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7.564842870536001,
16.900632436722002
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[
1.971744202239,
0.738401824845,
1.995347588537
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[
3.943574135933,
3.7476784300080004,
5.9413159874109995
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[
1.9715436196810001,
2.492129130028,
12.821877114415
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[
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15.207259411463001
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[
3.943510736194,
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0.301974563278
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[
1.9714196109170001,
2.9304080182220003,
9.228114891259
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[
5.915189389083,
6.778251981778,
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[
3.9430168638570002,
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14.119917028207
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[
3.9435921361429997,
3.7271250686960005,
3.082689971793
],
[
3.943034864067,
5.960981569992001,
11.261291012589
]
] |
[
true,
true,
true
] |
Ge2Te12Ti2
|
GeTe6Ti
|
A6BC
|
[
"Ge",
"Te",
"Ti"
] |
[
0.125,
0.75,
0.125
] |
[
22,
22,
32,
32,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | 16
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_132716"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5306/MD_2568815920375170112795306.json
| null |
{"jid": "JVASP-85305_elast-31", "hash": "2568815920375170112795306408905784205999559436234214129458034221473809769758092076891059827754150328568772494114998427312152766026339404657236321819941437", "id": "MD_2568815920375170112795306"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001905046862897756897808
|
10019050468628977568978080730664201973710634391197516421056469994818248316533066625734244350863543578209096660025884215648980455557205323802001540744392622
| 2025-04-16T21:27:46
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.247115
|
[
[
0,
0,
0
],
[
0,
0,
0
]
] |
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0,
0
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[
0,
-4.08841972,
0
],
[
0,
0,
-13.53485904
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_1485380808333849899885587
|
1485380808333849899885587624902045975383372581175128530443399457912491178073645329866119737150220755031782510615356637468607834601032770300914265314115450
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0
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0,
0,
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[
[
0,
0,
0
],
[
2.124593,
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1.659419945
]
] |
[
true,
true,
true
] |
AlSn
|
AlSn
|
AB
|
[
"Al",
"Sn"
] |
[
0.5,
0.5
] |
[
13,
50
] | 2
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_96670",
"id_prop_4249"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5257/MD_5394642801706187213665257.json
| null |
{"jid": "JVASP-4552_elast-5", "hash": "5394642801706187213665257599396685460268378724391269542079923912100040973538148894899762969166973986668098134085980317695864380938502188559938886447378930", "id": "MD_5394642801706187213665257"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1001980913813409194329549
|
10019809138134091943295494182811731494244743807545599481313399430418356057632241108062034472304371414774787757801704621397920033108688071770375609173203121
| 2025-04-16T16:51:20
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.977381
|
[
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0.01674308,
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0
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[
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[
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0,
0
],
[
0,
-13.96862753,
0
],
[
0,
0,
-11.34342713
]
] | false
| null | null | null | null | null | 0.149172
| 0.057991
| null |
CO_1145504479260020184838077
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0
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[
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7.281258,
0
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[
0,
0,
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[
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[
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7.3244370000000005
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[
3.628458091709,
4.505438575176,
7.3244370000000005
]
] |
[
true,
true,
true
] |
Rh4Sm12
|
RhSm3
|
A3B
|
[
"Rh",
"Sm"
] |
[
0.25,
0.75
] |
[
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
45,
45,
45,
45
] | 16
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_187682"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1375/MD_2040732978238782247371375.json
| null |
{"jid": "JVASP-112991_main-0", "hash": "2040732978238782247371375358914506109446567292975571539274807532354953828556265629436511710091861785733242116119531546182007285024774861252169773924529162", "id": "MD_2040732978238782247371375"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002046111520614382048189
|
10020461115206143820481897662386214749492631265171799560919673803935757445008461069503268619542248581306196538955998431343003786919545740304283928540409089
| 2025-04-16T15:44:43
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.354919
|
[
[
0,
0,
-0.11488502
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[
0,
0,
-0.00121604
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[
0,
0,
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[
0,
0,
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0,
0,
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[
0,
0,
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[
0,
0,
0.03556521
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[
0,
0,
0.03492419
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] |
[
[
-0.62024163,
0,
0
],
[
0,
0.09857357,
0
],
[
0,
0,
-2.38701164
]
] | false
| null | null | null | null | null | 0.114885
| 0.031184
| null |
CO_1051051798989305996013293
|
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|
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|
[
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0,
0
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[
0,
3.625643,
0
],
[
0,
0,
7.412535
]
] |
[
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0,
5.574401255826
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[
0,
1.8128215,
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[
0,
0,
0
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[
0,
1.8128215,
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3.7062675
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0,
1.85313375
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[
1.8128215,
1.8128215,
0
],
[
0,
0,
3.7062675
]
] |
[
true,
true,
true
] |
Be4Fe2Na2
|
Be2FeNa
|
A2BC
|
[
"Be",
"Fe",
"Na"
] |
[
0.5,
0.25,
0.25
] |
[
11,
11,
4,
4,
4,
4,
26,
26
] | 8
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_297047"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6584/MD_7307881820432620154726584.json
| null |
{"jid": "JVASP-69666_elast-15", "hash": "7307881820432620154726584574361735411945019050669652419068855664550303183477145303037961109934600254699607692932391662093174828854591499656628081413001107", "id": "MD_7307881820432620154726584"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002086413863378513521880
|
10020864138633785135218808087639486544057193596198034651687023496719632823572644718464667357993376432659486623233257705571028046232341639761176337814244404
| 2025-04-16T16:05:52
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.190102
|
[
[
0,
0,
-0.00223637
],
[
0,
0,
0.0005371
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[
0,
0,
0.00169927
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] |
[
[
0.29593691,
0,
0
],
[
0,
0.29593691,
0
],
[
0,
0,
0.65874827
]
] | false
| null | null | null | null | null | 0.002236
| 0.001491
| null |
CO_9858206619655239653760316
|
9858206619655239653760316534269316583639918973946952252697809532721382442606043226405096717104974116443282034910597177184882335323176755028026699090433775
|
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|
[
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4.56388528
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[
1.49640239,
-1.49640239,
4.56388528
],
[
1.49640239,
1.49640239,
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[
[
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0.3518273604594432
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[
2.017922669886758e-17,
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3.000885372552125
],
[
-4.5942097357382754e-17,
4.5942097357382754e-17,
5.775048699217871
]
] |
[
true,
true,
true
] |
BeMgRh
|
BeMgRh
|
ABC
|
[
"Be",
"Mg",
"Rh"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
4,
12,
45
] | 3
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_289157"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5162/MD_9425160211272499881565162.json
| null |
{"jid": "JVASP-67213_main-4", "hash": "9425160211272499881565162235955470592810955106049203145899730195703895294620754019508106312176205978810433792347348638849942767473726397787922297083743465", "id": "MD_9425160211272499881565162"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002075190762817145098119
|
10020751907628171450981199770827164659007550865478386209175408618102443507074575764392862107686658647333482105671628858030381928946286987058973418648931623
| 2025-04-16T18:05:53
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.929927
|
[
[
-0.88239426,
1.50270217,
0
],
[
0.08715791,
2.1673739,
0
],
[
0.79523635,
-3.67007608,
0
]
] |
[
[
-36.89088337,
9.64403975,
0
],
[
9.64404008,
-63.43374108,
0
],
[
0,
0,
-0.85479277
]
] | false
| null | null | null | null | null | 3.755244
| 2.555664
| null |
CO_5882995966285486530344206
|
588299596628548653034420608037588204790421755798080165455803538121339636087922372809615216814363474838109229886938826237074415216603832812513344676400755
|
7811283584323040292591028415020989891636926708249330110577152392491911646816624664434970277622603847601667762339485680080336878179281831050227676415792757
|
[
[
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0,
0
],
[
0,
6.35012699,
0
],
[
0,
0,
4.76259524
]
] |
[
[
1.913093804598244,
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0
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[
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-0.48803773979105197,
0
],
[
0.31939671880365306,
1.6532233667026606,
0
]
] |
[
true,
true,
true
] |
MgOS
|
MgOS
|
ABC
|
[
"Mg",
"O",
"S"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
12,
16,
8
] | 3
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_207283",
"id_prop_207284"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8129/MD_3530496564414995394018129.json
| null |
{"jid": "JVASP-118699_main-250", "hash": "3530496564414995394018129159156534629880845372726193445290333414615079507830935384229600152726403222590050542082033159065773176739257369252473884707083923", "id": "MD_3530496564414995394018129"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002054936299327804157326
|
10020549362993278041573266640755482033543831539937674259065456563112196607612405903074330329539550185883188739426889804576545117885727377365877966873231958
| 2025-04-17T18:48:22
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.288252
|
[
[
0,
0.08499704,
0.01484006
],
[
0,
-0.08499704,
0.01484006
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[
0,
0.03246234,
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[
0,
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-0.00844625
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[
0,
-0.03544656,
-0.00639381
],
[
0,
0.03544656,
-0.00639381
]
] |
[
[
8.99768563,
0,
0
],
[
0,
25.60853576,
0
],
[
0,
0,
7.24294757
]
] | false
| null | null | null | null | null | 0.086283
| 0.051948
| null |
CO_1288627721608403993682101
|
12886277216084039936821014881603904329859965616691421356177108133254939145639566104201772154875158646679667623155391596081080465294613588484872450882806126
|
8794511476315184075617842901254781531997553798241537919254988363179513480998576971706515483081408305924054137344011335606694504462649256578457230806163218
|
[
[
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0
],
[
2.356451,
4.02027061,
0
],
[
0,
0,
7.387103
]
] |
[
[
0,
0,
5.3505451868269995
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[
0,
0,
1.656993686827
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[
2.356451,
1.3400928835137402,
3.981094484275
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[
2.356451,
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0.287542984275
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[
2.356451,
-1.34009288351374,
3.2855248657950002
],
[
2.356451,
1.3400928835137402,
6.979076365795
]
] |
[
true,
true,
true
] |
Ag2Dy2Sn2
|
AgDySn
|
ABC
|
[
"Ag",
"Dy",
"Sn"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
66,
66,
47,
47,
50,
50
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_83359"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0771/MD_7541948471861602960990771.json
| null |
{"jid": "JVASP-17998_elast-4", "hash": "7541948471861602960990771917874842909911633189766261941903336270556210332133643975894837867988263288594085400852214597974049378870048137359250476155604628", "id": "MD_7541948471861602960990771"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002041250076228895081668
|
10020412500762288950816686278246531993859538969732916038777566353591717704153439378607814940638543346234819665634711195533900613094459666692245608351663948
| 2025-04-16T21:23:51
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.163131
|
[
[
0,
-0.00692983,
0.00745302
],
[
0,
0.00692983,
-0.00745302
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[
0,
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-0.00745302
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[
0,
0.00692983,
0.00745302
],
[
0,
0.09455995,
0.04329074
],
[
0,
-0.09455995,
-0.04329074
],
[
0,
0.09455995,
-0.04329074
],
[
0,
-0.09455995,
0.04329074
]
] |
[
[
-8.18256401,
0,
0
],
[
0,
-11.53414962,
0
],
[
0,
0,
-11.73345327
]
] | false
| null | null | null | null | null | 0.103998
| 0.057088
| null |
CO_2204340841331732781595337
|
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true
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Ni4Tm4
|
NiTm
|
AB
|
[
"Ni",
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[
0.5,
0.5
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[
69,
69,
69,
69,
28,
28,
28,
28
] | 8
| 2
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3973/MD_6151544630770910758813973.json
| null |
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PO_1002010914361403301941570
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| 2025-04-16T21:43:25
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DS_720rbshv96l1_0
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VASP
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[
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true
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BiCuP2Se6
|
BiCuP2Se6
|
A6B2CD
|
[
"Bi",
"Cu",
"P",
"Se"
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[
0.1,
0.1,
0.2,
0.6
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[
83,
29,
15,
15,
34,
34,
34,
34,
34,
34
] | 10
| 4
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0360/MD_7103358169587646547040360.json
| null |
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PO_1002082202539768206471676
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| 2025-04-16T21:37:17
|
DS_720rbshv96l1_0
| 1
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VASP
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[
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| null | null | null | null | null | 0.000835
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CO_1718115304862580453800991
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[
true,
true,
true
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Ce2
|
Ce
|
A
|
[
"Ce"
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[
1
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[
58,
58
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| 1
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8508/MD_5272267539318389209628508.json
| null |
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PO_1002078873818400816646991
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| 2025-04-16T20:58:52
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.23883
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[
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[
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| null | null | null | null | null | 0.002524
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| null |
CO_1288474715388311906079211
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[
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true,
true
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O6
|
O
|
A
|
[
"O"
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[
1
] |
[
8,
8,
8,
8,
8,
8
] | 6
| 1
| 0
|
[
0,
0,
0
] |
[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3122/MD_9614847292304406770743122.json
| null |
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PO_1002036969550417341977862
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| 2025-04-16T17:19:38
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.131412
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[
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0
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[
0,
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[
0,
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1.71638287
]
] | false
| null | null | null | null | null | 0.035435
| 0.022141
| null |
CO_3455930779530540498178193
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[
0,
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[
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[
true,
true,
true
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Pb4Te4
|
PbTe
|
AB
|
[
"Pb",
"Te"
] |
[
0.5,
0.5
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[
52,
52,
52,
52,
82,
82,
82,
82
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_51428"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6861/MD_9414187902852695916836861.json
| null |
{"jid": "JVASP-52645_main-1", "hash": "9414187902852695916836861200371913398286958316364427277746155986099979846936564320798491630026532368139034369758147369349271551281912327580486844370440189", "id": "MD_9414187902852695916836861"}
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|
PO_1002014244970467125448252
|
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| 2025-04-16T18:36:30
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.893619
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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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[
0,
0.11448866,
0
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[
0,
0,
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] | false
| null | null | null | null | null | 0.094566
| 0.063044
| null |
CO_8284564014138583659220407
|
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[
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[
0,
0,
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[
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0,
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] |
[
true,
true,
true
] |
CFN
|
CFN
|
ABC
|
[
"C",
"F",
"N"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
6,
7,
9
] | 3
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_215141"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0637/MD_3668800750114004344640637.json
| null |
{"jid": "JVASP-134344_main-123", "hash": "3668800750114004344640637128525223990801519839515232980507363851484995036266168734107449862101203371973800521244733930692002578852068381072480221860856125", "id": "MD_3668800750114004344640637"}
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|
PO_1002048525876575590599039
|
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| 2025-04-16T22:03:29
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.504843
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[
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0
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0
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[
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0
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[
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[
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1.79614462,
0,
0
],
[
0,
1.79614491,
0
],
[
0,
0,
3.41930248
]
] | false
| null | null | null | null | null | 0.102009
| 0.044495
| null |
CO_7643886740635485219769342
|
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[
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0
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[
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[
0,
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[
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0
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[
5.16447645574,
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0
]
] |
[
true,
true,
true
] |
As3Lu3Pd3
|
AsLuPd
|
ABC
|
[
"As",
"Lu",
"Pd"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
71,
71,
71,
33,
33,
33,
46,
46,
46
] | 9
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_285669"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6627/MD_7053076190616513485446627.json
| null |
{"jid": "JVASP-63182_main-0", "hash": "7053076190616513485446627272902444335517248585991355804981949886819474057032730686814370966784105347334368516772258893217623550248204739890749897195897099", "id": "MD_7053076190616513485446627"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002076909671810974014244
|
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| 2025-04-16T21:21:56
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.569288
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[
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0,
0,
0
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0,
0,
0
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0
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[
0,
9.57003184,
0
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[
0,
0,
22.43084621
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| null | null | null | null | null | 0.281251
| 0.068056
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CO_7197963116267868450329628
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[
2.2021565,
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] |
[
true,
true,
true
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H4Cl2Hg2N2
|
ClH2HgN
|
A2BCD
|
[
"Cl",
"H",
"Hg",
"N"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
80,
80,
1,
1,
1,
1,
7,
7,
17,
17
] | 10
| 4
| 0
|
[
0,
0,
0
] |
[
"id_prop_133482"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7304/MD_1018105823679396473337304.json
| null |
{"jid": "JVASP-85684_elast-6", "hash": "10181058236793964733373049129763291291644290883259031423135293785088662740703903968562540148812016074098972723536559387426924229857467209343702745694548621", "id": "MD_1018105823679396473337304"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002086592099455469140970
|
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| 2025-04-16T21:14:40
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | 0.436843
|
[
[
0,
0,
0
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[
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0.00532638
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[
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[
0,
0,
0
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[
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[
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0.03148426
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[
0.08063254,
0.03148396,
0.01590238
]
] | false
| null | null | null | null | null | 0.006409
| 0.003205
| null |
CO_8480575510494507841415173
|
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[
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[
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0
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[
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] |
[
true,
true,
true
] |
Cd2NaRh
|
Cd2NaRh
|
A2BC
|
[
"Cd",
"Na",
"Rh"
] |
[
0.5,
0.25,
0.25
] |
[
11,
48,
48,
45
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_131871"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2123/MD_4121315843798609760922123.json
| null |
{"jid": "JVASP-81558_main-8", "hash": "412131584379860976092212304842691305772388492278102610684818854980976732904363439080468113209957128799017349174943020587203947725081227188258200016824208", "id": "MD_4121315843798609760922123"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002037071560853128772758
|
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| 2025-04-16T16:33:06
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.318244
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[
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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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[
0,
0,
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[
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0,
0
],
[
0,
-0.19698365,
0
],
[
0,
0,
-0.0181929
]
] | false
| null | null | null | null | null | 0.00134
| 0.000536
| null |
CO_6208641621600944226693728
|
6208641621600944226693728769924070625559349419675420409291216006138533429998184345447685399828344596503466593974158169586450109709982178861973531768797209
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0
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0,
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0
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[
0,
0,
9.66891
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[
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[
0,
0,
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[
0,
0,
3.6503229301199998
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] |
[
true,
true,
true
] |
Co4Si4Zr2
|
Co2Si2Zr
|
A2B2C
|
[
"Co",
"Si",
"Zr"
] |
[
0.4,
0.4,
0.2
] |
[
40,
40,
27,
27,
27,
27,
14,
14,
14,
14
] | 10
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_57145"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6419/MD_1076447198633249617976419.json
| null |
{"jid": "JVASP-56189_elast-0", "hash": "10764471986332496179764199426177538347318358087667650198831958391145933732651896013332572155282412439253782738427467351453901966860331952890599014885408676", "id": "MD_1076447198633249617976419"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002063931085563122797197
|
10020639310855631227971976760518047887754777010022197899181283498335183009993106180464199881025918521505472146315276464126016097181146670340044039249791766
| 2025-04-16T17:54:52
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -6.730788
|
[
[
0,
0,
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[
0,
0,
0.2554123
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[
0,
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
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[
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0,
0
],
[
0,
4.60981154,
0
],
[
0,
0,
6.85743312
]
] | false
| null | null | null | null | null | 0.255412
| 0.074798
| null |
CO_1215246005901333895698184
|
1215246005901333895698184017843821808553486968769144249427057308995755277392238919962647020496816371836453097467328956015400855149079167404005096246465516
|
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|
[
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0,
0
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[
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2.674129,
0
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[
0,
0,
13.83835
]
] |
[
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[
0,
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6.919175
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[
0,
0,
0
]
] |
[
true,
true,
true
] |
C2Al2Ta2Ti2
|
AlCTaTi
|
ABCD
|
[
"Al",
"C",
"Ta",
"Ti"
] |
[
0.25,
0.25,
0.25,
0.25
] |
[
73,
73,
22,
22,
13,
13,
6,
6
] | 8
| 4
| 0
|
[
0,
0,
0
] |
[
"id_prop_161090"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2301/MD_6757263062077433028662301.json
| null |
{"jid": "JVASP-103416_main-0", "hash": "6757263062077433028662301784989071626331233544145386027636284395555354911378112288575131881735999246239582827934029272548022146134226717076890927801914295", "id": "MD_6757263062077433028662301"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002032037626871157350343
|
10020320376268711573503436208611563703717559486962254839601523532940457523578127721734098342057646361758260934737313762981935423356946958887542061382635557
| 2025-04-16T17:11:09
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | 0.152935
|
[
[
0.01088089,
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[
0.01088089,
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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,
-0.16470336,
0
],
[
0,
0,
-0.16470336
]
] | false
| null | null | null | null | null | 0.018846
| 0.012564
| null |
CO_8591030265631550944011646
|
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|
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|
[
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[
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0,
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[
4.83298069,
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0
]
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[
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[
2.416490345,
2.416490345,
2.416490345
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Ba4TcTl
|
Ba4TcTl
|
A4BC
|
[
"Ba",
"Tc",
"Tl"
] |
[
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] |
[
56,
56,
56,
56,
43,
81
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_288095"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3722/MD_4723418479404293609333722.json
| null |
{"jid": "JVASP-66644_main-0", "hash": "472341847940429360933372241583683258351259885918927494357884969458449305731812071120400505505473929270550732407119683957577458552448941654111429325332007", "id": "MD_4723418479404293609333722"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002021793116041869505558
|
10020217931160418695055584329575260284698475811931220600689926212263902826106780916223085004617452001284529758503415339640082832648956925358798309946388507
| 2025-04-17T17:45:49
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.391293
|
[
[
0,
0,
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[
0,
0,
0.02800098
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[
0,
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[
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0
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[
0,
0,
0
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[
0,
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0
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[
0,
0,
0
]
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[
[
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0,
0
],
[
0,
2.31071914,
0
],
[
0,
0,
-9.69572422
]
] | false
| null | null | null | null | null | 0.070877
| 0.02472
| null |
CO_9009544386358100895981470
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|
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[
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[
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[
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[
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[
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[
0,
2.3497415,
4.6882015
],
[
0,
2.3497415,
0
],
[
2.3462835,
0,
4.6882015
],
[
2.3462835,
0,
0
]
] |
[
true,
true,
true
] |
In3Sn3Y2
|
In3Sn3Y2
|
A3B3C2
|
[
"In",
"Sn",
"Y"
] |
[
0.375,
0.375,
0.25
] |
[
39,
39,
49,
49,
49,
50,
50,
50
] | 8
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_185167"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3517/MD_1330671783350842897773517.json
| null |
{"jid": "JVASP-110962_main-0", "hash": "13306717833508428977735174506517352038737358880617677595600006803326221361840648081680066423529758932920489161758744605985039242986330393299304346752188713", "id": "MD_1330671783350842897773517"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002071153417475689269411
|
10020711534174756892694114744854228387288509564310833951434534350239467662665701529257532985769935042915533778956731279265686196751549773438548924363791505
| 2025-04-16T17:52:40
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.018665
|
[
[
0.00072288,
0.00172813,
-0.00163642
],
[
0.00072288,
-0.00172813,
0.00163642
],
[
-0.00126892,
0.00101688,
0.00088962
],
[
-0.00126892,
-0.00101688,
-0.00088962
],
[
0.00072288,
0.00172813,
-0.00163642
],
[
0.00072288,
-0.00172813,
0.00163642
],
[
-0.00126892,
0.00101688,
0.00088962
],
[
-0.00126892,
-0.00101688,
-0.00088962
],
[
0.00072288,
0.00172813,
-0.00163642
],
[
0.00072288,
-0.00172813,
0.00163642
],
[
-0.00126892,
0.00101688,
0.00088962
],
[
-0.00126892,
-0.00101688,
-0.00088962
],
[
0.00072288,
0.00172813,
-0.00163642
],
[
0.00072288,
-0.00172813,
0.00163642
],
[
-0.00126892,
0.00101688,
0.00088962
],
[
-0.00126892,
-0.00101688,
-0.00088962
],
[
0.04415374,
0,
0
],
[
0.04415374,
0,
0
],
[
0.04415374,
0,
0
],
[
0.04415374,
0,
0
],
[
-0.04306167,
0,
0
],
[
-0.04306167,
0,
0
],
[
-0.04306167,
0,
0
],
[
-0.04306167,
0,
0
]
] |
[
[
-0.053098,
0,
0
],
[
0,
-0.05778462,
0.60177146
],
[
0,
0.60177163,
-0.05840046
]
] | false
| null | null | null | null | null | 0.044154
| 0.015983
| null |
CO_4137239591111901873906964
|
4137239591111901873906964990131545893997664427825887528112183899484396336910298880693242576455459074425139238470067634716160261366190418743366654593461971
|
3271310254365969772786206350865788419435581153044070801628981928725490800928719153576477304816782357786192482412038896314497244019139711686278619893901544
|
[
[
10.027465,
0,
0
],
[
0,
10.027465,
-0.15041197
],
[
0,
0,
10.027465
]
] |
[
[
6.275548585739999,
1.26181608574,
8.74672167360308
],
[
1.26181608574,
8.76564891426,
6.144063856396919
],
[
8.76564891426,
1.26181608574,
6.256621345083079
],
[
3.7519164142599997,
8.76564891426,
8.63416418491692
],
[
6.275548585739999,
6.275548585739999,
3.6577831886030796
],
[
1.26181608574,
3.7519164142599997,
1.20553734139692
],
[
8.76564891426,
6.275548585739999,
1.16768286008308
],
[
3.7519164142599997,
3.7519164142599997,
3.6956376699169198
],
[
1.26181608574,
1.26181608574,
3.73298917360308
],
[
6.275548585739999,
8.76564891426,
1.13033135639692
],
[
3.7519164142599997,
1.26181608574,
1.24288884508308
],
[
8.76564891426,
8.76564891426,
3.6204316849169196
],
[
1.26181608574,
6.275548585739999,
8.67151568860308
],
[
6.275548585739999,
3.7519164142599997,
6.219269841396919
],
[
3.7519164142599997,
6.275548585739999,
6.181415360083079
],
[
8.76564891426,
3.7519164142599997,
8.70937016991692
],
[
0,
0,
0
],
[
0,
5.0137325,
4.9385265149999995
],
[
5.0137325,
0,
5.0137325
],
[
5.0137325,
5.0137325,
-0.075205985
],
[
7.5205987499999996,
2.50686625,
2.4692632574999998
],
[
7.5205987499999996,
7.5205987499999996,
7.407789772499999
],
[
2.50686625,
2.50686625,
7.4829957574999995
],
[
2.50686625,
7.5205987499999996,
2.3940572725
]
] |
[
true,
true,
true
] |
Ba16Br4Sn4
|
Ba4BrSn
|
A4BC
|
[
"Ba",
"Br",
"Sn"
] |
[
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] |
[
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
56,
50,
50,
50,
50,
35,
35,
35,
35
] | 24
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_278633"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2844/MD_6630259559601341305362844.json
| null |
{"jid": "JVASP-64289_elast-10", "hash": "6630259559601341305362844302445240182608794263443862330685847119570542563593098191730454174385514452085740837938238877296878292629766097084455391128206407", "id": "MD_6630259559601341305362844"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002037022414132503881701
|
10020370224141325038817015577218197380155473798905450303538157644107901908284894993144680585899018107537893172778950668657029891985089584556815740326191488
| 2025-04-16T18:01:36
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.10594
|
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
-10.96709649,
0,
0
],
[
0,
-10.96709649,
0
],
[
0,
0,
-14.93942346
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_3299394562940834913553460
|
3299394562940834913553460950644860724445652542621684637422854909112317550958766605059852178419356209634634986349864185697978394128900942150787856314958671
|
9404368583218210030978763329599459057210818409439956446644237701648948997862200723560541753716091397954555661230593914203948487518393133499818242294844292
|
[
[
3.889169,
0,
0
],
[
0,
3.889169,
0
],
[
0,
0,
3.898254
]
] |
[
[
1.9445845,
1.9445845,
1.949127
],
[
0,
0,
0
],
[
0,
1.9445845,
0
],
[
1.9445845,
0,
0
],
[
0,
0,
1.949127
]
] |
[
true,
true,
true
] |
CeGaO3
|
CeGaO3
|
A3BC
|
[
"Ce",
"Ga",
"O"
] |
[
0.2,
0.2,
0.6
] |
[
58,
31,
8,
8,
8
] | 5
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_149666"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7205/MD_3650328337500632265137205.json
| null |
{"jid": "JVASP-93214_main-0", "hash": "3650328337500632265137205342838786089680904642302763695809644770445219455502617479439649211162600045067259696305753994887755480360702220119001543670403564", "id": "MD_3650328337500632265137205"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1002012385722083786861275
|
10020123857220837868612757181990990706592893824922745947631942908043933207176786026398306982465932536703257116002198105735032386832489690753298053769288393
| 2025-04-16T16:50:24
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.734615
|
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
0.12180254,
0,
0
],
[
0,
0.12180254,
0
],
[
0,
0,
0.10763052
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_4811674550408111049397179
|
4811674550408111049397179562713150081193558398572922786642735367658640507815267941067473268995689289086909776394136407844685547185746149458079971637508992
|
3240525296898283418190132910625728594615381015422378254318068879970715276464337362050787138821007637740304031870982985607102052353389558317951218847515584
|
[
[
4.82100548,
0,
0
],
[
0,
4.82100548,
0
],
[
0,
0,
3.39471355
]
] |
[
[
2.41050274,
2.41050274,
1.697356775
],
[
0,
0,
1.697356775
],
[
2.41050274,
0,
0
],
[
0,
2.41050274,
0
]
] |
[
true,
true,
true
] |
BeBr2Zr
|
BeBr2Zr
|
A2BC
|
[
"Be",
"Br",
"Zr"
] |
[
0.25,
0.5,
0.25
] |
[
40,
4,
35,
35
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_303222"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7529/MD_2039032541785891468637529.json
| null |
{"jid": "JVASP-74236_main-4", "hash": "2039032541785891468637529704141289245332034606947288738014970319188797661884413469763747958515855864754551055338595933164941390793412553262140120814320605", "id": "MD_2039032541785891468637529"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
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