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string | configuration_metadata_path
string | hash
string | configuration_metadata
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PO_1000067098503765528927025
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| 2025-04-16T18:55:55
|
DS_720rbshv96l1_0
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VASP
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Au2K2P4S14
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AuKP2S7
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A7B2CD
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6410/MD_8005926247315276406666410.json
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PO_1000044558456061822270216
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| 2025-04-16T16:51:12
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DS_720rbshv96l1_0
| 1
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VASP
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BNaO
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BNaO
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ABC
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7090/MD_4588225972282864075267090.json
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PO_1000005246531455891005461
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| 2025-04-16T18:03:13
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DS_720rbshv96l1_0
| 1
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VASP
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CO_5736502142322017077986978
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P4U2
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P2U
|
A2B
|
[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2142/MD_7196578403339103885052142.json
| null |
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PO_1000038321383454591709871
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| 2025-04-16T17:44:53
|
DS_720rbshv96l1_0
| 1
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VASP
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CO_1176553644001993804175514
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Ge3Li3Yb3
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GeLiYb
|
ABC
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3019/MD_1453545852200519296963019.json
| null |
{"jid": "JVASP-4600_main-1", "hash": "1453545852200519296963019333753730347236057370420736790438446813680300009989048044279744232518862707466853177691722540255188498278297720655179806430805132", "id": "MD_1453545852200519296963019"}
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PO_1000047844373188681315425
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| 2025-04-16T15:14:05
|
DS_720rbshv96l1_0
| 1
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VASP
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F2Mn6O10
|
FMn3O5
|
A5B3C
|
[
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[
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8,
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8,
8,
8,
8,
8,
8,
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/4163/MD_9708073062895183470664163.json
| null |
{"jid": "JVASP-122522_main-23", "hash": "9708073062895183470664163575258880771021966001618764915674189018453787869775770560437015620582131375861887108488331827605536914356059958177284860881434996", "id": "MD_9708073062895183470664163"}
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PO_1000090493574178525405506
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| 2025-04-16T19:49:39
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | 0.024254
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CO_1152029776046068009423686
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ClOZn
|
ClOZn
|
ABC
|
[
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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/9913/MD_5409088165001181928509913.json
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PO_1000092250233647461459865
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| 2025-04-16T21:13:01
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DS_720rbshv96l1_0
| 1
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VASP
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CO_8396478574871143011889719
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true
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Fe12V4
|
Fe3V
|
A3B
|
[
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[
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26,
26,
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26,
26,
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26,
26,
26,
26,
26
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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/0477/MD_1323704967092174461040477.json
| null |
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PO_1000064566823775467128148
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| 2025-04-16T17:59:53
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.857261
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0
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[
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| null | null | null | null | null | 0.000231
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CO_6309155718825506221833236
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[
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Fe3Ge3Hf3
|
FeGeHf
|
ABC
|
[
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[
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[
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32,
32,
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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/2726/MD_1087043647344806014842726.json
| null |
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PO_1000035034310146803807981
|
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| 2025-04-16T21:04:14
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -6.044989
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[
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| null | null | null | null | null | 0.018643
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CO_4294793816701882843979648
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true
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C8Ho8Os4
|
C2Ho2Os
|
A2B2C
|
[
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[
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6,
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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/4199/MD_9322980816198111746504199.json
| null |
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PO_1000084103674281932269931
|
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| 2025-04-16T20:04:47
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -6.10548
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CO_7448352355506206785831121
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true
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Li3O18Si6V3
|
LiO6Si2V
|
A6B2CD
|
[
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[
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8,
8,
8,
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8,
8,
8,
8,
8
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| 4
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4024/MD_1168335339727419135394024.json
| null |
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PO_1000088942869999027043094
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| 2025-04-16T17:32:29
|
DS_720rbshv96l1_0
| 1
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VASP
| null | -1.429268
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| null | null | null | null | null | 0
| 0
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CO_4360493520092874904710081
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[
true,
true,
true
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RbRh3
|
RbRh3
|
A3B
|
[
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[
0.25,
0.75
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[
37,
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/6837/MD_2465657190696034663306837.json
| null |
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PO_1000048033562614224971389
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| 2025-04-16T18:55:10
|
DS_720rbshv96l1_0
| 1
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VASP
| null | -3.454007
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[
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| null | null | null | null | null | 0.127047
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CO_1234089390408585048154520
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[
true,
true,
true
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Ag2N2S8W2
|
AgNS4W
|
A4BCD
|
[
"Ag",
"N",
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"W"
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[
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0.5714285714285714,
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[
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16,
16,
16,
16,
16,
16,
16,
16,
7,
7
] | 14
| 4
| 0
|
[
0,
0,
0
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[
"id_prop_24484"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6743/MD_8435019281421676496526743.json
| null |
{"jid": "JVASP-35492_elast-27", "hash": "8435019281421676496526743343415920671842164817740413336381834056391664571752245437752700384276675474558892649238552717808593662350004814717499934550242439", "id": "MD_8435019281421676496526743"}
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|
PO_1000024772671625952958742
|
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| 2025-04-16T16:28:45
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.214943
|
[
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0,
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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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[
0,
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0
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[
0,
0,
2.74642822
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] | false
| null | null | null | null | null | 0
| 0
| null |
CO_8231545951318919442551878
|
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[
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0,
0
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[
0,
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0
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[
true,
true,
true
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BeGe2Ni
|
BeGe2Ni
|
A2BC
|
[
"Be",
"Ge",
"Ni"
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[
0.25,
0.5,
0.25
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[
4,
28,
32,
32
] | 4
| 3
| 0
|
[
0,
0,
0
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[
"id_prop_302951"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0691/MD_8972036010210940778520691.json
| null |
{"jid": "JVASP-72402_main-3", "hash": "8972036010210940778520691111471758094480622857112097471427000333287659027128490106442863393380950244433129634147208081291416741069563759561877873255280218", "id": "MD_8972036010210940778520691"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000088737551597412674822
|
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| 2025-04-16T17:32:57
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.69152
|
[
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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,
-6.1840103,
0
],
[
0,
0,
3.36052453
]
] | false
| null | null | null | null | null | 0.170232
| 0.11355
| null |
CO_3957959735172765651212799
|
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|
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[
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[
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[
true,
true,
true
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Al2O
|
Al2O
|
A2B
|
[
"Al",
"O"
] |
[
0.6666666666666666,
0.3333333333333333
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[
13,
13,
8
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_227949"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5725/MD_4741387325272257718455725.json
| null |
{"jid": "JVASP-137979_main-16", "hash": "474138732527225771845572533542722249766191701985776718897252078273204041395124813521991704055161765078371705025735963750573360696998576230231264373495664", "id": "MD_4741387325272257718455725"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000017667970944016818636
|
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| 2025-04-16T19:00:21
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.551403
|
[
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0
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[
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0
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[
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[
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0,
0
],
[
0,
0.02704308,
0
],
[
0,
0,
0.00507209
]
] | false
| null | null | null | null | null | 0.003234
| 0.00227
| null |
CO_2358193853802262034627887
|
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[
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[
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0
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[
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[
true,
true,
true
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Mg2Ni4Sm4
|
MgNi2Sm2
|
A2B2C
|
[
"Mg",
"Ni",
"Sm"
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[
0.2,
0.4,
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[
62,
62,
62,
62,
12,
12,
28,
28,
28,
28
] | 10
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_176141"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8201/MD_4200638475135827597808201.json
| null |
{"jid": "JVASP-106648_main-22", "hash": "4200638475135827597808201366196821078956053784018171867409779684418960299056939946720577322824382765217395725546714415672197739035476470543121888610060806", "id": "MD_4200638475135827597808201"}
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PO_1000016945832019566537038
|
10000169458320195665370382204115862667376381700324003953761614765772404574079317580064064559085316016227134558436747337581098778031387633553989564787707700
| 2025-04-16T21:09:01
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.897205
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[
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CO_1023627532663905225792952
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[
true,
true,
true
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Co2F2Li16O10
|
CoFLi8O5
|
A8B5CD
|
[
"Co",
"F",
"Li",
"O"
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[
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0.06666666666666667,
0.5333333333333333,
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3,
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3,
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3,
3,
27,
27,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
9,
9
] | 30
| 4
| 0
|
[
0,
0,
0
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[
"id_prop_188759"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4886/MD_1502443935307197631084886.json
| null |
{"jid": "JVASP-142166_main-18", "hash": "1502443935307197631084886348760956935595477663380110660411868038370821295741512056277605582786655803047973518303004991199408288349869472762738683716667261", "id": "MD_1502443935307197631084886"}
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PO_1000012237811713695102962
|
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| 2025-04-16T18:26:42
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.949416
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[
0,
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0
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[
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0
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[
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0
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[
0,
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[
0,
8.44323491,
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]
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| null | null | null | null | null | 0.066518
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CO_7923312390993577258697553
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[
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[
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[
3.197041,
0,
0
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[
3.197041,
3.197041,
3.1490853850000002
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[
true,
true,
true
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Mn4Pb4Rh8
|
MnPbRh2
|
A2BC
|
[
"Mn",
"Pb",
"Rh"
] |
[
0.25,
0.25,
0.5
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[
25,
25,
25,
25,
45,
45,
45,
45,
45,
45,
45,
45,
82,
82,
82,
82
] | 16
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_90581"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8254/MD_5353627982751175111068254.json
| null |
{"jid": "JVASP-15424_elast-10", "hash": "5353627982751175111068254246458574072709503453385636030008230678541115119561141698686667159385164790984938151729162599949844958299212881258528259966748417", "id": "MD_5353627982751175111068254"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000043042982736147601681
|
1000043042982736147601681744642237597849787448641297600985338173684921850590648554569524961306434771203489831467157549851209188493471178246651715041972756
| 2025-04-16T16:44:56
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.065637
|
[
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0,
0,
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[
0,
0,
0.00005884
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[
0,
0,
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[
0,
0,
0.00130067
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[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
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0,
0
],
[
0,
0.19175836,
0
],
[
0,
0,
-0.00528422
]
] | false
| null | null | null | null | null | 0.001301
| 0.000453
| null |
CO_2292119480633074684821726
|
229211948063307468482172633050259040534701507292528884209377780212611625285575398586460035343929036783878054102798240811476072990517258800759218304472689
|
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|
[
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0
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[
0,
3.99375666,
0
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[
0,
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6.71895656
]
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[
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[
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[
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[
1.99687833,
1.99687833,
0
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[
0,
0,
0
]
] |
[
true,
true,
true
] |
Cl2O2Sm2
|
ClOSm
|
ABC
|
[
"Cl",
"O",
"Sm"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
62,
62,
17,
17,
8,
8
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_99129"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9270/MD_4839372427229511184289270.json
| null |
{"jid": "JVASP-3861_main-3", "hash": "4839372427229511184289270480167348979801189599009703251464777825199325112393273736502095800064006289109566060432304081259370457934196177654998549302146593", "id": "MD_4839372427229511184289270"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000053748793277076001326
|
10000537487932770760013261322943054020348815376246199441462731627207206834163046393081884425988577202478064211433227260349658148197919011153209123152320068
| 2025-04-16T16:10:44
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.265397
|
[
[
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
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[
0,
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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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0,
0
],
[
0,
-0.68814043,
0
],
[
0,
0,
2.94683356
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_2431594907230012119055020
|
2431594907230012119055020617572339853053846634500384672852502625027556035754458643817067691285305724798638626940395888272442084512938351456577908730885026
|
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|
[
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0
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[
0,
4.700491,
0
],
[
0,
0,
6.636378
]
] |
[
[
2.3502455,
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3.318189
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[
0,
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0
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[
0,
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3.318189
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[
2.3502455,
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0
],
[
0,
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1.6590945
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[
0,
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4.9772834999999995
],
[
2.3502455,
0,
4.9772834999999995
],
[
2.3502455,
0,
1.6590945
]
] |
[
true,
true,
true
] |
Be2Hg4Sc2
|
BeHg2Sc
|
A2BC
|
[
"Be",
"Hg",
"Sc"
] |
[
0.25,
0.5,
0.25
] |
[
21,
21,
4,
4,
80,
80,
80,
80
] | 8
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_304738"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3531/MD_1013975982139901192603531.json
| null |
{"jid": "JVASP-74753_elast-0", "hash": "10139759821399011926035317443070556824283858440869000738611530645352787206732479539623630657096090594113646090896321618180653900969351686584714265461655824", "id": "MD_1013975982139901192603531"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000086400858776002184457
|
10000864008587760021844573894397765752997915132293041904253915231003693677964974775682638493102139501869732796175768014257859890418509170214733137245632355
| 2025-04-16T16:08:33
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | 0.842206
|
[
[
0,
0,
0.00118587
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[
0,
0,
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[
0,
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0
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[
0,
0,
0.04354301
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[
0,
0,
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],
[
0,
0,
0
]
] |
[
[
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-4e-8,
0
],
[
-4e-8,
-0.34490206,
0
],
[
0,
0,
0.04304113
]
] | false
| null | null | null | null | null | 0.043543
| 0.01491
| null |
CO_9310967858442741086606133
|
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MgSr5
|
MgSr5
|
A5B
|
[
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[
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[
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38,
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38,
38,
12
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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/1986/MD_9500480987170896498431986.json
| null |
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PO_1000062734538926424653985
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| 2025-04-16T16:42:03
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DS_720rbshv96l1_0
| 1
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VASP
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0
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| null | null | null | null | null | 0.047547
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CO_8967363194191043143099813
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[
true,
true,
true
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Br12Ca2Th2
|
Br6CaTh
|
A6BC
|
[
"Br",
"Ca",
"Th"
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[
0.75,
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0.125
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[
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20,
90,
90,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35,
35
] | 16
| 3
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2979/MD_6536905923911929531522979.json
| null |
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PO_1000041514915821278634908
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| 2025-04-16T15:42:26
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | 0.759103
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[
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0
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0
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[
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| null | null | null | null | null | 0.022318
| 0.011159
| null |
CO_8026214624812102190810442
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[
true,
true,
true
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Hg2YZn
|
Hg2YZn
|
A2BC
|
[
"Hg",
"Y",
"Zn"
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[
0.5,
0.25,
0.25
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[
39,
30,
80,
80
] | 4
| 3
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0092/MD_9943648541016857908380092.json
| null |
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|
PO_1000099377492454461879809
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| 2025-04-16T17:12:24
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.85058
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[
2.67404558,
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]
] | false
| null | null | null | null | null | 1.24547
| 0.592065
| null |
CO_1777957617818328534137946
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[
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1.330825105853
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[
true,
true,
true
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Fe2Li5Ni5O12
|
Fe2Li5Ni5O12
|
A12B5C5D2
|
[
"Fe",
"Li",
"Ni",
"O"
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[
0.08333333333333333,
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0.5
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[
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26,
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28,
28,
28,
28,
28,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 24
| 4
| 0
|
[
0,
0,
0
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[
"id_prop_42720"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4560/MD_1068890071478256523984560.json
| null |
{"jid": "JVASP-45225_main-0", "hash": "10688900714782565239845604535434463048967360315697197037894532142704109803542846244402074746318490973715349572331875029664735717625927067708565209854015519", "id": "MD_1068890071478256523984560"}
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PO_1000235299298653988656874
|
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| 2025-04-16T17:06:11
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.414027
|
[
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0
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0
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[
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0
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[
0.02750728,
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0
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[
0,
0,
-0.1410827
]
] | false
| null | null | null | null | null | 0.004468
| 0.00204
| null |
CO_9267475308456474087092921
|
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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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[
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4.70273558
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[
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[
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1.175683895
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] |
[
true,
true,
true
] |
BMg6Mo
|
BMg6Mo
|
A6BC
|
[
"B",
"Mg",
"Mo"
] |
[
0.125,
0.75,
0.125
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[
12,
12,
12,
12,
12,
12,
5,
42
] | 8
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_143326"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7933/MD_6263314688892408231467933.json
| null |
{"jid": "JVASP-92911_main-13", "hash": "6263314688892408231467933688157910499537277711534828695064097839789667829776266754529247796154718210801119324871646463250011391150235173275988660701074951", "id": "MD_6263314688892408231467933"}
|
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|
PO_1000231204849315272810836
|
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| 2025-04-16T21:13:01
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.243696
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0,
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0,
2e-8,
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| null | null | null | null | null | 0.002631
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CO_2591096560057162176879210
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[
true,
true,
true
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Cu2Er4O8
|
CuEr2O4
|
A4B2C
|
[
"Cu",
"Er",
"O"
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[
0.14285714285714285,
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0.5714285714285714
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[
68,
68,
68,
68,
29,
29,
8,
8,
8,
8,
8,
8,
8,
8
] | 14
| 3
| 0
|
[
0,
0,
0
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[
"id_prop_52908"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7764/MD_6660126027909047343947764.json
| null |
{"jid": "JVASP-50854_main-32", "hash": "6660126027909047343947764023839757941214696086770115844858770546604200213644922128754884434574089149742729582533427414395271175335848067784576809450162812", "id": "MD_6660126027909047343947764"}
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|
PO_1000235229514273074150540
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| 2025-04-16T20:27:55
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.117685
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[
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0
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[
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2.40757949,
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] | false
| null | null | null | null | null | 0.377801
| 0.1889
| null |
CO_2407649932017865874372705
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[
true,
true,
true
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AgMnO2
|
AgMnO2
|
A2BC
|
[
"Ag",
"Mn",
"O"
] |
[
0.25,
0.25,
0.5
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[
25,
47,
8,
8
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_39227"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1846/MD_5027117739454597641631846.json
| null |
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|
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PO_1000296578879464681315569
|
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| 2025-04-16T17:10:24
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.888452
|
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[
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| null | null | null | null | null | 0.048578
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CO_1013778051114493164569079
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[
true,
true,
true
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F6Li2Mn2
|
F3LiMn
|
A3BC
|
[
"F",
"Li",
"Mn"
] |
[
0.6,
0.2,
0.2
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[
3,
3,
25,
25,
9,
9,
9,
9,
9,
9
] | 10
| 3
| 0
|
[
0,
0,
0
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[
"id_prop_45156"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1184/MD_2199113627909003206081184.json
| null |
{"jid": "JVASP-44000_elast-14", "hash": "2199113627909003206081184391388859916714992137522938313795299989223541469678637690712801553357812857706208061548291854364575477484650842031695636394659607", "id": "MD_2199113627909003206081184"}
|
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PO_1000209531865180390816376
|
10002095318651803908163765705399200768966859908500381360287139340786832035488709369236115244785928543577331493763028561439516036619960773472906537765968241
| 2025-04-16T17:19:09
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.839789
|
[
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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 | 0.00858
| 0.002611
| null |
CO_9120513597276619406130393
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[
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[
true,
true,
true
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P12V16
|
P3V4
|
A4B3
|
[
"P",
"V"
] |
[
0.42857142857142855,
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[
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23,
23,
23,
23,
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23,
23,
23,
23,
23,
23,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15
] | 28
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_259294"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2095/MD_1178254272207851463922095.json
| null |
{"jid": "JVASP-140752_main-24", "hash": "11782542722078514639220951623469946393384588338821416784522532798563895232501741085436419609166117782671590115763629846108351529727723582265387254107458251", "id": "MD_1178254272207851463922095"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000264329075889760901083
|
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| 2025-04-17T18:48:22
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.727882
|
[
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[
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[
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[
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[
0,
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0
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[
0,
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] | false
| null | null | null | null | null | 0.734838
| 0.228125
| null |
CO_3322953702708154486941506
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Cu2Fe2O6S2Sr4
|
CuFeO3SSr2
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A3B2CDE
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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/5654/MD_1165079359914896712065654.json
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PO_1000209220334805887550782
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| 2025-04-16T19:57:19
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DS_720rbshv96l1_0
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VASP
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CO_3443429620617036579359152
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[
true,
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true
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Cl12Sb4
|
Cl3Sb
|
A3B
|
[
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[
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| 2
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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/0250/MD_1472390133485841133790250.json
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PO_1000270300371874437256356
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| 2025-04-16T21:13:01
|
DS_720rbshv96l1_0
| 1
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VASP
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CO_5409219488398411225755507
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[
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true
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F6Li14Mn2O6
|
F3Li7MnO3
|
A7B3C3D
|
[
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[
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| 4
| 0
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2376/MD_4170099839983391089862376.json
| null |
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PO_1000296599712769494932962
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| 2025-04-16T20:48:59
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.574694
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| null | null | null | null | null | 0.01879
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CO_3559867524451126417774882
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[
true,
true,
true
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CrLi5O5
|
CrLi5O5
|
A5B5C
|
[
"Cr",
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"O"
] |
[
0.09090909090909091,
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[
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3,
3,
24,
8,
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8,
8,
8
] | 11
| 3
| 0
|
[
0,
0,
0
] |
[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4607/MD_1123881318381933841304607.json
| null |
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000251442643308725071963
|
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| 2025-04-17T18:26:41
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.573884
|
[
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[
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HS2
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A2B
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/9571/MD_1022999138222225814619571.json
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DS_720rbshv96l1_0
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VASP
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Bi8Ni6Pr6
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Bi4Ni3Pr3
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A4B3C3
|
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/3805/MD_7932868079330388338743805.json
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PO_1000268371804521256788855
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| 2025-04-16T20:36:09
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DS_720rbshv96l1_0
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VASP
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GePm3
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GePm3
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A3B
|
[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/7473/MD_8486458671748806308397473.json
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PO_1000256862290206642430719
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| 2025-04-16T15:40:19
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DS_720rbshv96l1_0
| 1
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VASP
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H4AgNS4W
|
AgH4NS4W
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A4B4CDE
|
[
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| 5
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2533/MD_9519993131043920319062533.json
| null |
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PO_1000225426704575222204842
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| 2025-04-16T16:56:41
|
DS_720rbshv96l1_0
| 1
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VASP
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CO_9936419231486052925820298
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C2HgN2S2
|
C2HgN2S2
|
A2B2C2D
|
[
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[
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[
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| 4
| 0
|
[
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0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3549/MD_4824201364910681076723549.json
| null |
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PO_1000259290383020485223781
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| 2025-04-16T15:41:31
|
DS_720rbshv96l1_0
| 1
|
VASP
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CO_6287841214596795641382997
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Ba4FeZn
|
Ba4FeZn
|
A4BC
|
[
"Ba",
"Fe",
"Zn"
] |
[
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] |
[
56,
56,
56,
56,
26,
30
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_277838"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0565/MD_2327414837514563584160565.json
| null |
{"jid": "JVASP-63927_main-9", "hash": "2327414837514563584160565069992234235839937262827310503209430294621368761902753215609188389386068459342664638349134179506598673885031172690724077238511630", "id": "MD_2327414837514563584160565"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000255688295208840185948
|
1000255688295208840185948162170423448441818076929691618060607832689568535626983432258540212072189553175159223306246098649138623361755037782659801726963335
| 2025-04-16T22:04:30
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | 0.370351
|
[
[
0,
0,
0
],
[
0,
0,
0.0012661
],
[
0,
0,
-0.0012661
]
] |
[
[
0.1514676,
0,
0
],
[
0,
0.1514676,
0
],
[
0,
0,
0.09894648
]
] | false
| null | null | null | null | null | 0.001266
| 0.000844
| null |
CO_8588132724470807381278619
|
8588132724470807381278619895915723763668524541343728753836916377786155657999473754497984423936293866570408184736812485510471045548559369358257110610504610
|
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0
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[
0,
4.115556,
0
],
[
0,
0,
6.393485
]
] |
[
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3.1967425
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[
0,
2.057778,
1.35428077967
],
[
2.057778,
0,
5.03920422033
]
] |
[
true,
true,
true
] |
AgI2
|
AgI2
|
A2B
|
[
"Ag",
"I"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
47,
53,
53
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_109472"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2913/MD_6277129106116484668172913.json
| null |
{"jid": "JVASP-8769_elast-0", "hash": "6277129106116484668172913554586098673916175783554434770268930176107183480451616841933642065350143839396143873275143480091556720220423909954485984265807936", "id": "MD_6277129106116484668172913"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000265027334213634272017
|
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| 2025-04-16T17:21:01
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.136721
|
[
[
0,
0,
0.08859558
],
[
0,
0,
-0.08859558
]
] |
[
[
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0,
0
],
[
0,
-0.43564952,
0
],
[
0,
0,
-2.51911284
]
] | false
| null | null | null | null | null | 0.088596
| 0.088596
| null |
CO_5603208676844685064545831
|
5603208676844685064545831962954777576125840838915195616032142517985043477030618408615118513428412141200967715524195296616250252382117075207210384264711335
|
6474417625564482842602224536052739556713537122326598200147656266541161177217219152153454465535856062929325341629704161659615136757376433212510935595783678
|
[
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0,
0
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[
0,
7.40848,
0
],
[
0,
0,
9.66806785
]
] |
[
[
0,
0,
7.55959886171372
],
[
0,
0,
2.1084689882862793
]
] |
[
true,
true,
true
] |
Mo2
|
Mo
|
A
|
[
"Mo"
] |
[
1
] |
[
42,
42
] | 2
| 1
| 0
|
[
0,
0,
0
] |
[
"id_prop_197968"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7466/MD_8375685261024064812777466.json
| null |
{"jid": "JVASP-115450_elast-5", "hash": "8375685261024064812777466198632412941281684462882574287500679062459202182461212569374333216936281933925191199326671765339173412377450263849955626609841909", "id": "MD_8375685261024064812777466"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000185530384374673052293
|
10001855303843746730522932408827532933610532052072434208497833773201952874285474610508549953360075732622306526424239118962490444967884166956301860004705618
| 2025-04-16T15:42:40
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.215265
|
[
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0.06384702,
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0
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[
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0.02259377,
0
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[
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[
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0
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[
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0.02942057,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] |
[
[
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0
],
[
-0.11388991,
-6.60842145,
0
],
[
0,
0,
-10.18003589
]
] | false
| null | null | null | null | null | 0.107384
| 0.074137
| null |
CO_5262717348391604510049357
|
5262717348391604510049357265565369976431533482726403059950027736538864076984991945146929860464646557495480885333412969904140050705320683903917058244951315
|
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[
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0
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[
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3.47790445,
0
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[
0,
0,
6.729537
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] |
[
[
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1.68238425
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[
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5.0471527499999995
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[
0,
0,
0
],
[
0,
0,
3.3647685
]
] |
[
true,
true,
true
] |
C2Fe4Si2Tm2
|
CFe2SiTm
|
A2BCD
|
[
"C",
"Fe",
"Si",
"Tm"
] |
[
0.2,
0.4,
0.2,
0.2
] |
[
69,
69,
26,
26,
26,
26,
14,
14,
6,
6
] | 10
| 4
| 0
|
[
0,
0,
0
] |
[
"id_prop_154632"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6955/MD_1123292739100723964166955.json
| null |
{"jid": "JVASP-99438_main-0", "hash": "11232927391007239641669558193429199370271776232090444759323402785521374401395065366869447515183375359969421600741801680628717590565680969701473984130012208", "id": "MD_1123292739100723964166955"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000103220864672331171780
|
10001032208646723311717801157007257068465604677160211064805539032926813852273979135073380633103817901990834074943188580456603529864311503606504937948542318
| 2025-04-16T17:35:02
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.696751
|
[
[
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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[
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[
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0,
0
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[
0.0006375,
0,
0
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[
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0,
0
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[
[
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0,
0
],
[
0,
0.26951455,
-0.02714506
],
[
0,
-0.02714468,
0.45398813
]
] | false
| null | null | null | null | null | 0.000638
| 0.000342
| null |
CO_2461704229997067541340237
|
2461704229997067541340237550711927182911895895770364545241091783448755108847450361877010913518222870332007560281173069561701775209672660809295862308471164
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|
[
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0
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[
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0,
0
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[
0,
-2.697831,
-4.574451
]
] |
[
[
1.225306,
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0
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[
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[
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0
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[
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[
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[
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[
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[
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[
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[
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[
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-1.14361275
],
[
2.954786209208,
2.53768525,
-3.43083825
]
] |
[
true,
true,
true
] |
F4O8Sb4
|
FO2Sb
|
A2BC
|
[
"F",
"O",
"Sb"
] |
[
0.25,
0.5,
0.25
] |
[
51,
51,
51,
51,
8,
8,
8,
8,
8,
8,
8,
8,
9,
9,
9,
9
] | 16
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_7436"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5821/MD_5376887666774469458275821.json
| null |
{"jid": "JVASP-22697_elast-0", "hash": "5376887666774469458275821789461693948082862368928419087314534368436277603480537264211460792285458034327755676321114560184980325857290861540124808509518322", "id": "MD_5376887666774469458275821"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000130308777855431610981
|
10001303087778554316109815815421439036812809984919737115040851393986203292369081637688678162854905905498922022178410392002690468297573061962391791918709215
| 2025-04-16T17:39:46
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.396759
|
[
[
0,
0,
-0.00178729
],
[
0,
0,
0.00178729
],
[
0,
0,
0
]
] |
[
[
0.00268446,
0,
0
],
[
0,
0.00268446,
0
],
[
0,
0,
0.0740763
]
] | false
| null | null | null | null | null | 0.001787
| 0.001192
| null |
CO_6793035201523380744537779
|
6793035201523380744537779617477035667192880437334018432568267465579963288199297703636676217928244688162182000019743938345992709222562533192785477534744386
|
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|
[
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0,
0
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[
1.94250275,
3.36451347,
0
],
[
0,
0,
23.729432
]
] |
[
[
3.88500743583608,
2.24301010150449,
10.137925233359999
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[
1.94250080416392,
1.12150336849551,
13.59150676664
],
[
0,
0,
11.864716
]
] |
[
true,
true,
true
] |
ClNa2
|
ClNa2
|
A2B
|
[
"Cl",
"Na"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
11,
11,
17
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_294828"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7256/MD_7951274330160206693757256.json
| null |
{"jid": "JVASP-75378_main-5", "hash": "7951274330160206693757256135687497101702697356965753422109748939776777540765469433706852901037715836593375036228341087540712855713032267422623745472272471", "id": "MD_7951274330160206693757256"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000192912360082282498719
|
10001929123600822824987190627928386665948791743085217543890063294615946434045883778108434177392378355811728998078140592546873256757589544165990083513711819
| 2025-04-16T21:09:01
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -7.786577
|
[
[
0,
-0.14059021,
0
],
[
0,
-0.14059021,
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
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[
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0
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[
0,
0.14059021,
0
],
[
0,
0.14059021,
0
]
] |
[
[
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0,
0
],
[
0,
-130.13355643,
0
],
[
0,
0,
2.06466524
]
] | false
| null | null | null | null | null | 0.14059
| 0.14059
| null |
CO_8822102740302307702488048
|
8822102740302307702488048634847288146899625947696088019322061120667493578650428836319777427378124678960499394202411192787864229463981874782138655801137021
|
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|
[
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0,
0
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[
0,
4.41197054,
0
],
[
0,
0,
6.607788
]
] |
[
[
0,
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0
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[
0,
2.20654117828804,
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[
1.256818,
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0
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[
1.256818,
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3.303894
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[
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0
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[
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[
1.256818,
0.7349195807299601,
0
],
[
1.256818,
2.9409048507299604,
3.303894
]
] |
[
true,
true,
true
] |
B4N4
|
BN
|
AB
|
[
"B",
"N"
] |
[
0.5,
0.5
] |
[
5,
5,
5,
5,
7,
7,
7,
7
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_15071"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7664/MD_3554088919703410250677664.json
| null |
{"jid": "JVASP-30047_elast-3", "hash": "3554088919703410250677664463192708505442707695448219105564415803335892909138838500328237994563744894860807932560878704448113335847604531388243920341830425", "id": "MD_3554088919703410250677664"}
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PO_1000197326994868130666839
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| 2025-04-16T17:20:02
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.338528
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[
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CO_4219691154971519771545561
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[
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true
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BeMgP
|
BeMgP
|
ABC
|
[
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[
0.3333333333333333,
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[
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15
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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/4712/MD_2416967778656934004664712.json
| null |
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PO_1000115166250560138735988
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| 2025-04-16T21:44:51
|
DS_720rbshv96l1_0
| 1
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VASP
| null | -3.817328
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[
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[
0,
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| null | null | null | null | null | 0.021091
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CO_1100200989277069638169598
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[
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true,
true
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Ca4F8
|
CaF2
|
A2B
|
[
"Ca",
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[
0.3333333333333333,
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[
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20,
20,
20,
9,
9,
9,
9,
9,
9,
9,
9
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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/2399/MD_1535755517960838799662399.json
| null |
{"jid": "JVASP-58251_main-11", "hash": "1535755517960838799662399112502528993314113367439460496882907141868064609383933994472555793580641695184100148370115236568080639931489480110089869351284527", "id": "MD_1535755517960838799662399"}
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PO_1000155767670322938307096
|
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| 2025-04-16T17:55:11
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.848117
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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 | 0.017363
| 0.00687
| null |
CO_6755856353878779366186125
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[
true,
true,
true
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Fe16Hf8
|
Fe2Hf
|
A2B
|
[
"Fe",
"Hf"
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[
0.6666666666666666,
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[
72,
72,
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72,
72,
72,
72,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26
] | 24
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_263885"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3816/MD_1339004762456666377263816.json
| null |
{"jid": "JVASP-144305_main-15", "hash": "13390047624566663772638166513143725023309304219226490563855040041031840936436004291729608131430798274016166362697923764370726530157346520089528462136205170", "id": "MD_1339004762456666377263816"}
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|
PO_1000171732398815372956849
|
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| 2025-04-16T16:29:25
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.433431
|
[
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[
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[
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] | false
| null | null | null | null | null | 1.198312
| 0.756176
| null |
CO_1118028085329046070194945
|
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[
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[
7.598900428174569,
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] |
[
true,
true,
true
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AsCa3
|
AsCa3
|
A3B
|
[
"As",
"Ca"
] |
[
0.25,
0.75
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[
20,
20,
20,
33
] | 4
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_229874"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3516/MD_5437623324056324299193516.json
| null |
{"jid": "JVASP-138419_main-0", "hash": "5437623324056324299193516211901776954700959380896854335386127722901860848488211051707612061477836341241786459728688059441195904248081180514205108496191627", "id": "MD_5437623324056324299193516"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000145654262788220046346
|
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| 2025-04-16T21:14:40
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.035308
|
[
[
0,
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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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[
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-0.56198051,
-5e-8
],
[
-7e-8,
-5e-8,
-0.56198048
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_5014492977088053878656116
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501449297708805387865611676014786795578944229909909714453469716991660189546917288682660761117669241628838402657939312188569455257471209053054124065736299
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[
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[
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[
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[
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7.1547453675
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[
2.753862845,
1.947274885,
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] |
[
true,
true,
true
] |
PbRh2Tb
|
PbRh2Tb
|
A2BC
|
[
"Pb",
"Rh",
"Tb"
] |
[
0.25,
0.5,
0.25
] |
[
65,
45,
45,
82
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8244/MD_1270206098258262973568244.json
| null |
{"jid": "JVASP-99849_main-2", "hash": "12702060982582629735682448875828494193383066773309501963873123051500410699737119009235688205702964683492276385384279309101375369935229518256954924808854308", "id": "MD_1270206098258262973568244"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000196017755984164634493
|
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| 2025-04-16T19:49:39
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.295052
|
[
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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,
0
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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,
17.27285647
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_1005593403222913458521971
|
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[
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[
0,
0,
0
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[
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0,
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] |
[
true,
true,
true
] |
BeHfSb2
|
BeHfSb2
|
A2BC
|
[
"Be",
"Hf",
"Sb"
] |
[
0.25,
0.25,
0.5
] |
[
4,
72,
51,
51
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_292812"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4206/MD_1225513583621024626844206.json
| null |
{"jid": "JVASP-68575_main-0", "hash": "1225513583621024626844206763626764719653055695106738093307118697917725853488490694336515233132625528892175703175205549917003101172077265921140568559063941", "id": "MD_1225513583621024626844206"}
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PO_1000120696015364070239852
|
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| 2025-04-16T21:56:50
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.966788
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0
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[
0,
0,
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] | false
| null | null | null | null | null | 0.00021
| 0.00021
| null |
CO_3083769423237470801807837
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[
true,
true,
true
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Ge8
|
Ge
|
A
|
[
"Ge"
] |
[
1
] |
[
32,
32,
32,
32,
32,
32,
32,
32
] | 8
| 1
| 0
|
[
0,
0,
0
] |
[
"id_prop_273047"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8129/MD_1091041958857189568598129.json
| null |
{"jid": "JVASP-149910_main-6", "hash": "10910419588571895685981290153774060968113939246825075199743545010979721317603692667948984062458877504660446022020257280196105062655038141528623288541578138", "id": "MD_1091041958857189568598129"}
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|
PO_1000177358200937234098645
|
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| 2025-04-16T17:13:47
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.147037
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[
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0,
0,
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0,
0,
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[
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0,
0
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[
0,
0.24137269,
0
],
[
0,
0,
0.1320981
]
] | false
| null | null | null | null | null | 0.002617
| 0.001308
| null |
CO_1079072334616256693716513
|
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0
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0
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[
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2.271603645,
0
],
[
0,
0,
3.138877595
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] |
[
true,
true,
true
] |
AsIn2Se
|
AsIn2Se
|
A2BC
|
[
"As",
"In",
"Se"
] |
[
0.25,
0.5,
0.25
] |
[
49,
49,
33,
34
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_177921"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5959/MD_2084944431875478652115959.json
| null |
{"jid": "JVASP-107331_main-7", "hash": "2084944431875478652115959751118481513219656328606939543168741556851876081395998559125743118276421039435073656626757976374983719566770383373275824414904866", "id": "MD_2084944431875478652115959"}
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PO_1000101399916734427534882
|
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| 2025-04-16T18:06:19
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.957776
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[
[
0,
0,
0
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[
0,
0,
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[
0,
0,
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[
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0,
0
],
[
0,
-14.29005368,
0
],
[
0,
0,
-18.66621713
]
] | false
| null | null | null | null | null | 1.349708
| 0.899805
| null |
CO_1000811472314378705964885
|
10008114723143787059648854098190685010902995570430350376939034552786343359868571899722797421662489655667468392416889957920322904097388354938329984462964517
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0
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0
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[
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[
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[
1.994764,
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] |
[
true,
true,
true
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FeI2
|
FeI2
|
A2B
|
[
"Fe",
"I"
] |
[
0.3333333333333333,
0.6666666666666666
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[
26,
53,
53
] | 3
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_4885"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9769/MD_1104444656818561962709769.json
| null |
{"jid": "JVASP-27782_elast-6", "hash": "11044446568185619627097692663829018532012850358284902610211421489868900916249888505908235816522467160186473310574767112376748236276101925610241212121887836", "id": "MD_1104444656818561962709769"}
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|
PO_1000158026619934475336667
|
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| 2025-04-16T19:01:02
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.219604
|
[
[
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,
-5.39355385,
0
],
[
0,
0,
-5.39355385
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_6146730718358229913828734
|
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0
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[
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3.185005
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[
0,
0,
0
],
[
1.5925025,
1.5925025,
1.5925025
]
] |
[
true,
true,
true
] |
CoMo2Tl
|
CoMo2Tl
|
A2BC
|
[
"Co",
"Mo",
"Tl"
] |
[
0.25,
0.5,
0.25
] |
[
81,
27,
42,
42
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_55121"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2498/MD_9268543270758398069812498.json
| null |
{"jid": "JVASP-51300_main-0", "hash": "9268543270758398069812498285205531660135837331525235218727354268981780932867403775681343209834641362238015864628902528723375607429070646402145766448749198", "id": "MD_9268543270758398069812498"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000158920524061789171429
|
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| 2025-04-16T22:04:30
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.030076
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[
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[
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[
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[
0.00983518,
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0.02462621
],
[
-0.0389031,
0.02462663,
0.12102898
]
] | false
| null | null | null | null | null | 0.006949
| 0.003458
| null |
CO_4536519055256613860823518
|
4536519055256613860823518365714365634075977511465951531222350781271693148095788440746627297364374030538278791318375917578072558157595009778559106189184931
|
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|
[
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[
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[
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[
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[
1.8962474783834953,
3.3328758479718696,
7.439943331318479
]
] |
[
true,
true,
true
] |
C7H12O4Sn
|
C7H12O4Sn
|
A12B7C4D
|
[
"C",
"H",
"O",
"Sn"
] |
[
0.2916666666666667,
0.5,
0.16666666666666666,
0.041666666666666664
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[
50,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
1,
6,
6,
6,
6,
6,
6,
6,
8,
8,
8,
8
] | 24
| 4
| 0
|
[
0,
0,
0
] |
[
"id_prop_170959"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0226/MD_1022534293545899540190226.json
| null |
{"jid": "JVASP-112006_main-499", "hash": "10225342935458995401902260386282742776222006919181458273860983301439333764816493872502198030627231949176106924042630363083512580656615482574417179232112402", "id": "MD_1022534293545899540190226"}
|
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|
PO_1000151701180451605664267
|
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| 2025-04-17T17:35:57
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -6.986273
|
[
[
0.00011997,
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0.00061576
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CO_1846992991665285313858863
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true
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Cr4O16Zr4
|
CrO4Zr
|
A4BC
|
[
"Cr",
"O",
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[
0.16666666666666666,
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8,
8,
8,
8,
8,
8,
8,
8,
8,
8
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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/8360/MD_1275591541059073912868360.json
| null |
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PO_1000116299609485837125410
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| 2025-04-16T16:09:32
|
DS_720rbshv96l1_0
| 1
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VASP
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| null | null | null | null | null | 0
| 0
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CO_8152248546209751603770796
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[
true,
true,
true
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Au3Os
|
Au3Os
|
A3B
|
[
"Au",
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[
0.75,
0.25
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[
76,
79,
79,
79
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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/1920/MD_4886781484424826097721920.json
| null |
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PO_1000183412998893098138457
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| 2025-04-16T18:43:44
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.358175
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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 | 0.012805
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CO_9063189861494773310657473
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[
true,
true,
true
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Au3Ho3In3
|
AuHoIn
|
ABC
|
[
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"Ho",
"In"
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[
0.3333333333333333,
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0.3333333333333333
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[
67,
67,
67,
49,
49,
49,
79,
79,
79
] | 9
| 3
| 0
|
[
0,
0,
0
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[
"id_prop_89671"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3383/MD_8317434434736737685933383.json
| null |
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|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000115262016303905456998
|
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| 2025-04-16T20:25:58
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | 0.579245
|
[
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0,
0,
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[
0,
0,
2.08340764
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[
0,
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[
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0,
0
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[
0,
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0
],
[
0,
0,
85.02119811
]
] | false
| null | null | null | null | null | 3.688462
| 2.458974
| null |
CO_9098084264601215651291243
|
9098084264601215651291243762368295949075474374521662844773740837992044656751413438601269960933488115830347254647657676648931095562114350461692011542938315
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[
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[
0,
0,
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[
0,
0,
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]
] |
[
true,
true,
true
] |
AuRbTe
|
AuRbTe
|
ABC
|
[
"Au",
"Rb",
"Te"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
37,
52,
79
] | 3
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_208345"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6638/MD_5114954256338180803726638.json
| null |
{"jid": "JVASP-118945_main-12", "hash": "5114954256338180803726638313476020645706231693803799685470922297303709806840331191657250314728441883334588026474126087668670377234873885098202291067858198", "id": "MD_5114954256338180803726638"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000156573379460482887260
|
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| 2025-04-16T18:26:37
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -6.197567
|
[
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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,
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] | false
| null | null | null | null | null | 0.370728
| 0.157516
| null |
CO_7739325744218591520179347
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[
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[
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[
true,
true,
true
] |
Ca2Mo4O8
|
CaMo2O4
|
A4B2C
|
[
"Ca",
"Mo",
"O"
] |
[
0.14285714285714285,
0.2857142857142857,
0.5714285714285714
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[
20,
20,
42,
42,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8
] | 14
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_122437"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9523/MD_1163596038582348885909523.json
| null |
{"jid": "JVASP-9954_main-0", "hash": "11635960385823488859095236656392266644855655594716551550100918480981194435619093872899371986760534539543770375075039716636708960325569179887420403686314660", "id": "MD_1163596038582348885909523"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000194745099189468377623
|
10001947450991894683776236945235158052838617147355890257560508418337699400477143730158080165769674217173321696953509972591828589530895665435039190104172372
| 2025-04-16T20:33:11
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -6.939499
|
[
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0.0013379,
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Er8O24W4
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Er2O6W
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A6B2C
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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/4762/MD_6417291123712556157974762.json
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PO_1000132714184916309788909
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| 2025-04-16T20:46:05
|
DS_720rbshv96l1_0
| 1
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VASP
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Pu6Si4
|
Pu3Si2
|
A3B2
|
[
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[
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[
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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/2393/MD_1056114906753013033652393.json
| null |
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PO_1000173771538629657521627
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| 2025-04-17T18:48:22
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.696647
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| null | null | null | null | null | 0.181666
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[
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Hf4Si8
|
HfSi2
|
A2B
|
[
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[
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[
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14,
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14,
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14,
14,
14
] | 12
| 2
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7561/MD_1077569971696136980177561.json
| null |
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PO_1000168842212552493725877
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| 2025-04-17T18:06:06
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.228432
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| null | null | null | null | null | 0.084552
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CO_1179613436265368079627429
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[
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true,
true
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AgBiCl6K2
|
AgBiCl6K2
|
A6B2CD
|
[
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"Cl",
"K"
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[
0.1,
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0.2
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[
19,
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47,
83,
17,
17,
17,
17,
17,
17
] | 10
| 4
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4547/MD_2784526541735143685254547.json
| null |
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PO_1000102138123218471551252
|
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| 2025-04-16T18:56:42
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -8.520334
|
[
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C3TaTiW
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C3TaTiW
|
A3BCD
|
[
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| 4
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|
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9443/MD_9653114903493657494729443.json
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PO_1000195397810369187047309
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| 2025-04-16T20:48:59
|
DS_720rbshv96l1_0
| 1
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VASP
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BaBiSe2
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BaBiSe2
|
A2BC
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/4969/MD_8610174165242878097624969.json
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PO_1000305662347568926296058
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| 2025-04-16T21:30:02
|
DS_720rbshv96l1_0
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VASP
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CO_5887071427026022205333621
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H12CuI4N4
|
CuH12I4N4
|
A12B4C4D
|
[
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| 4
| 0
|
[
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0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7281/MD_9532725068606150401667281.json
| null |
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PO_1000373933522320196958449
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| 2025-04-16T20:29:44
|
DS_720rbshv96l1_0
| 1
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VASP
| null | -2.376759
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| null | null | null | null | null | 0.001962
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CO_2054754814955328403450630
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[
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true
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H2MgP
|
H2MgP
|
A2BC
|
[
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[
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0.25,
0.25
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[
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15,
1,
1
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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/3321/MD_9758560358823168719583321.json
| null |
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PO_1000374509110775228696907
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| 2025-04-17T18:16:17
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.939988
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CO_2103507097885898881081932
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[
true,
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true
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Pd16Sr8
|
Pd2Sr
|
A2B
|
[
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[
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| 2
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|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6667/MD_1570554228653299602726667.json
| null |
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PO_1000335541198288795592273
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| 2025-04-16T18:11:11
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.784356
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[
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| 0
| null |
CO_2838785105297800471018275
|
2838785105297800471018275946855895996002415844953265343108014267036351771455123813704567825942283821029668703230826928693193963658579838596887439752615807
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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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[
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0,
2.7021947028683084
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[
1.9086140969325067,
1.9086140969325067,
0
]
] |
[
true,
true,
true
] |
Ba2OS
|
Ba2OS
|
A2BC
|
[
"Ba",
"O",
"S"
] |
[
0.5,
0.25,
0.25
] |
[
56,
56,
16,
8
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_221423"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4885/MD_4026558612631051445204885.json
| null |
{"jid": "JVASP-135880_main-0", "hash": "4026558612631051445204885352689177763175597690979413880152751940701081681485560286096751584086121361171937310498571684097374262939255688089516407280157419", "id": "MD_4026558612631051445204885"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000331079429837302857089
|
10003310794298373028570890881740127832221777184327161101119078179193647168723304737359351598196309008040102076326558044978898387100960755046927267645969835
| 2025-04-16T16:05:18
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | 0.301438
|
[
[
0,
0,
0.08874092
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[
0,
0,
3.30092442
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[
0,
0,
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[
[
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0,
0
],
[
0,
-2.51080402,
0
],
[
0,
0,
47.4375122
]
] | false
| null | null | null | null | null | 3.389665
| 2.259777
| null |
CO_1269295450320980643841410
|
12692954503209806438414105391733516710803395055850464109166343338326668423538332553032836823602919859712637965122503748149689000589151008730938776859632100
|
4272003138660566349696470880621102211511219740674329480799210763177196716021244030152973611028959911652202043385596298440480113861199143194206345191024564
|
[
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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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[
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[
0,
0,
0
],
[
0,
0,
7.561480350398249
]
] |
[
true,
true,
true
] |
BeSnTe
|
BeSnTe
|
ABC
|
[
"Be",
"Sn",
"Te"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
4,
50,
52
] | 3
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_198858"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1536/MD_9403848248089179530031536.json
| null |
{"jid": "JVASP-115657_main-0", "hash": "9403848248089179530031536977967901071414028181682802202343633539477660331529509310790837706962072247048915026602582200519328930350224612869394761818963185", "id": "MD_9403848248089179530031536"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000313274527859840184212
|
10003132745278598401842123173032388420822085337159589757189796627929089937808393366816667440840353184149077340490466850397576985576598698584703908868208801
| 2025-04-17T17:45:49
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.396814
|
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
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0
],
[
-1e-8,
416.71716049,
0
],
[
0,
0,
-28.65912239
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_4748605493275077355024794
|
4748605493275077355024794936003746311033270812623671220825108599361547860711866138778264195150409762050512791393101444917679207374671897309266685803924491
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|
[
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0,
0
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[
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0
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[
0,
0,
5.29177249
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[
[
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0
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[
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2.4630760505555167,
0
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
OPbY
|
OPbY
|
ABC
|
[
"O",
"Pb",
"Y"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
39,
82,
8
] | 3
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_197314"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6317/MD_7637852575077523923596317.json
| null |
{"jid": "JVASP-115295_main-0", "hash": "7637852575077523923596317060732450029614974764518368260018059754668916736034095985600094572377438764415643048607565011018481723861625199874491201748478120", "id": "MD_7637852575077523923596317"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000343722660586898335920
|
10003437226605868983359206832167228443391438675370112810408682988079805264623458913888438536596701462948853297065108613940437222204775763397291323797784682
| 2025-04-17T18:37:27
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.945528
|
[
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0.00589245,
0.00299928,
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[
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[
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[
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0.00034614,
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[
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[
[
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[
-0.06078157,
0.05247676,
-0.04821974
],
[
0.02398414,
-0.04821993,
-0.17585537
]
] | false
| null | null | null | null | null | 0.006612
| 0.003517
| null |
CO_8020756429988744323631096
|
8020756429988744323631096182568049328353762730938447767840620708954229424338937104069745842536909515388425000174030452180079289887056515963516036278396517
|
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|
[
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[
3.36477053,
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13.09246907
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[
[
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[
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[
-1.7396563450846434,
-0.8727428006229596,
3.2736230211517325
]
] |
[
true,
true,
true
] |
NbSe8W3
|
NbSe8W3
|
A8B3C
|
[
"Nb",
"Se",
"W"
] |
[
0.08333333333333333,
0.6666666666666666,
0.25
] |
[
41,
34,
34,
34,
34,
34,
34,
34,
34,
74,
74,
74
] | 12
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_18435"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8531/MD_2557793762961043380728531.json
| null |
{"jid": "JVASP-31724_main-9", "hash": "2557793762961043380728531392765242577815132484697290472727083724791213944538207110606450592408306207557868755989831609243957366040857539772657184437974530", "id": "MD_2557793762961043380728531"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000344300488763657539409
|
10003443004887636575394091756088625020868449189505312049146377791569457298676263694503762112782876491642484915800171973716574659299239525380277446562695184
| 2025-04-16T20:35:09
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | 0.086329
|
[
[
0,
0,
0.00025581
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[
0,
0,
0
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
-0.00022956
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[
0,
0,
0.00022956
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] |
[
[
0.19925096,
0,
0
],
[
0,
0.19925081,
0
],
[
0,
0,
0.34297098
]
] | false
| null | null | null | null | null | 0.000256
| 0.000162
| null |
CO_1000972638314440151637392
|
10009726383144401516373923501473342989564163210333947739258892233996924770371678737651614192764020624638435110798836629844803822371567603381856415858532585
|
1015418526517597946023407540915689947833255356016030955467690491823150819812349590655663899152153679952930722791858459542826744699734846679121793644408537
|
[
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0,
0
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[
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2.71628896,
0
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[
0,
0,
15.10079921
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] |
[
[
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0
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[
0,
0,
12.465883407045915
],
[
0,
0,
2.634915802954085
]
] |
[
true,
true,
true
] |
Li3Mg3
|
LiMg
|
AB
|
[
"Li",
"Mg"
] |
[
0.5,
0.5
] |
[
3,
3,
3,
12,
12,
12
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_152233"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4857/MD_5604353513294453805794857.json
| null |
{"jid": "JVASP-94412_main-11", "hash": "5604353513294453805794857814096541295790367973796495854908897733047841748825871150111660637449761976511477211390766633143272508884816003377568537419993965", "id": "MD_5604353513294453805794857"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000332672271877888210763
|
10003326722718778882107638522729434911127483973889764472923710761458664921089297053577608039407545125009759956977510554761672287046812401932835471451516884
| 2025-04-16T17:08:25
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.317231
|
[
[
0.01215832,
0,
0
],
[
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0.01052941,
0
],
[
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0
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[
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0
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[
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0
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0.0020105,
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0
],
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
-15.20333312,
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0
],
[
-9.2e-7,
-15.20333419,
0
],
[
0,
0,
-17.5654359
]
] | false
| null | null | null | null | null | 0.012158
| 0.005393
| null |
CO_1241548458505926801391765
|
12415484585059268013917659999963971414659859137518920658047639798371751202558372683796931850770268997317649966277610510765802819132368705377718822918983676
|
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|
[
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0,
0
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[
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6.58549435,
0
],
[
0,
0,
4.688895
]
] |
[
[
4.3418349102128,
0,
0
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[
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0
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[
1.6312195165043997,
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0
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[
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0,
2.3444475
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[
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2.3444475
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[
2.874043113754399,
4.9779883501537,
2.3444475
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[
2.2864529946391266e-7,
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2.3444475
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[
3.8021369713546997,
2.1951647613816854,
2.3444475
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
Mg3Tb3Tl3
|
MgTbTl
|
ABC
|
[
"Mg",
"Tb",
"Tl"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
65,
65,
65,
12,
12,
12,
81,
81,
81
] | 9
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_154831"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2719/MD_9966530347432388241762719.json
| null |
{"jid": "JVASP-99497_main-0", "hash": "9966530347432388241762719784286922317540269829308181746822616859290057691319796581630748796698842182524372083617591513118266545685337953896640514984972963", "id": "MD_9966530347432388241762719"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000328381595480419680921
|
10003283815954804196809217925663106118466413157692992462809604094198739539699887265863740329458187938643708181802115300104471314379948358007036579694736987
| 2025-04-16T20:47:45
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -5.56981
|
[
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] |
[
[
1.54465666,
0,
0
],
[
0,
1.54465666,
0
],
[
0,
0,
-2.86486514
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_2980115973703212111470129
|
2980115973703212111470129685527972117134877331493979912477167150028862460125175719378128428603533000696511350297415537999029753532889706297702782943958775
|
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|
[
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3.94530592,
0,
0
],
[
0,
3.94530592,
0
],
[
0,
0,
3.95284866
]
] |
[
[
0,
0,
0
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[
1.97265296,
1.97265296,
1.97642433
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[
0,
1.97265296,
1.97642433
],
[
1.97265296,
0,
1.97642433
],
[
1.97265296,
1.97265296,
0
]
] |
[
true,
true,
true
] |
AlMoO3
|
AlMoO3
|
A3BC
|
[
"Al",
"Mo",
"O"
] |
[
0.2,
0.2,
0.6
] |
[
13,
42,
8,
8,
8
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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/9175/MD_1175216621318656976629175.json
| null |
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PO_1000325665401660301780701
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| 2025-04-16T20:04:36
|
DS_720rbshv96l1_0
| 1
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VASP
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CO_1774380608037691580446183
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true
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BiI2
|
BiI2
|
A2B
|
[
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[
0.3333333333333333,
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[
83,
53,
53
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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/0202/MD_4862245368233670668430202.json
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PO_1000366153683729305336896
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| 2025-04-16T20:51:24
|
DS_720rbshv96l1_0
| 1
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VASP
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CO_1009354372465389338093417
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[
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true
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F12Li6Mn2
|
F6Li3Mn
|
A6B3C
|
[
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[
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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/5664/MD_1428833075379310884705664.json
| null |
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PO_1000326886249784096899918
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| 2025-04-16T18:43:29
|
DS_720rbshv96l1_0
| 1
|
VASP
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[
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CO_9427338138771264091479556
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[
true,
true,
true
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Co6Se8
|
Co3Se4
|
A4B3
|
[
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[
0.42857142857142855,
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[
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27,
27,
34,
34,
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34,
34,
34,
34,
34
] | 14
| 2
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9123/MD_1604004745138912537759123.json
| null |
{"jid": "JVASP-59660_main-1", "hash": "1604004745138912537759123177006750983447085961007556515235766333183660040078458224711041366059555673993759107832262133198024944040264274886443609986451834", "id": "MD_1604004745138912537759123"}
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PO_1000379845844787101294725
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| 2025-04-16T17:13:54
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.690802
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[
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CO_1538188619920687184865302
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[
true,
true,
true
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Cr2Nb4Se8
|
CrNb2Se4
|
A4B2C
|
[
"Cr",
"Nb",
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[
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[
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41,
41,
41,
24,
24,
34,
34,
34,
34,
34,
34,
34,
34
] | 14
| 3
| 0
|
[
0,
0,
0
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/9603/MD_7770310947842900825829603.json
| null |
{"jid": "JVASP-15809_elast-2", "hash": "7770310947842900825829603313052458672161608224475720766719952120299862348303068933509491063984801589778982581283204601162508755240633580564016605220671497", "id": "MD_7770310947842900825829603"}
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PO_1000332877586663809299174
|
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| 2025-04-16T16:42:03
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.903067
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[
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CO_7509599111408306677951068
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[
true,
true,
true
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Co5Ni5Pr2
|
Co5Ni5Pr2
|
A5B5C2
|
[
"Co",
"Ni",
"Pr"
] |
[
0.4166666666666667,
0.4166666666666667,
0.16666666666666666
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[
59,
59,
27,
27,
27,
27,
27,
28,
28,
28,
28,
28
] | 12
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_165978"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/3644/MD_8003123538567101955923644.json
| null |
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PO_1000380601981654535362738
|
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| 2025-04-17T18:48:22
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.442598
|
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[
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| null | null | null | null | null | 0.006133
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CO_1021562595821801984201191
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[
true,
true,
true
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Ca2Ge4O10
|
CaGe2O5
|
A5B2C
|
[
"Ca",
"Ge",
"O"
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[
0.125,
0.25,
0.625
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[
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20,
32,
32,
32,
32,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 16
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_124471"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/0851/MD_4576576504387271263640851.json
| null |
{"jid": "JVASP-34378_main-56", "hash": "4576576504387271263640851684328914828305687208813661107195283885744100588919518883263014080387071797344015977524926055391627052649465076751924285699455073", "id": "MD_4576576504387271263640851"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000307815921899400482627
|
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| 2025-04-16T18:31:36
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.56505
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[
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0
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[
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[
0,
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| null | null | null | null | null | 0.008348
| 0.004463
| null |
CO_5640982498269599753975956
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0,
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[
true,
true,
true
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K4O8Pd2
|
K2O4Pd
|
A4B2C
|
[
"K",
"O",
"Pd"
] |
[
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
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[
19,
19,
19,
19,
46,
46,
8,
8,
8,
8,
8,
8,
8,
8
] | 14
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_259149"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1493/MD_9387341897081310283901493.json
| null |
{"jid": "JVASP-140681_main-38", "hash": "9387341897081310283901493657080718136769581307633833904837497507343274029052208051609592406087923820211876172090506559209354327082768953234163621426405425", "id": "MD_9387341897081310283901493"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000398857884218985358498
|
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| 2025-04-16T16:10:44
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.495331
|
[
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0,
0
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0,
0
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[
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[
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[
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0,
0
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[
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0
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[
0,
117.85383765,
-70.69059108
],
[
0,
-70.69059099,
51.39684657
]
] | false
| null | null | null | null | null | 0.076024
| 0.04595
| null |
CO_1224051406765650391530988
|
12240514067656503915309885170483634329588614237588699486958103514072730552393073806341521137852850602286738870063188168051739026524590268879308375115317814
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[
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0
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[
0,
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[
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0
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0
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[
3.5848666350449996,
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] |
[
true,
true,
true
] |
F6Sc2
|
F3Sc
|
A3B
|
[
"F",
"Sc"
] |
[
0.75,
0.25
] |
[
21,
21,
9,
9,
9,
9,
9,
9
] | 8
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_51571"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5178/MD_8237066066580693650265178.json
| null |
{"jid": "JVASP-52824_elast-0", "hash": "823706606658069365026517815944521008689651480495107951869304032836286846758920693181527515436511631521511575571944023425713235941843339877884376616924648", "id": "MD_8237066066580693650265178"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000398548806278279207901
|
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| 2025-04-16T18:16:20
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.389998
|
[
[
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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[
-1.9e-7,
2.045461,
0
],
[
0,
0,
2.04546133
]
] | false
| null | null | null | null | null | 0
| 0
| null |
CO_8230350593619724254501867
|
8230350593619724254501867045882488614190148827126092597694756509996391295162435481168159872270386344427556344855720290797048429072173183417476166586131135
|
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|
[
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[
1.24122631,
3.51071908,
2.14986777
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[
0,
0,
4.29973554
]
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[
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[
0,
0,
0
],
[
1.2412265599999999,
0.87767977,
2.14986777
]
] |
[
true,
true,
true
] |
RuTeV
|
RuTeV
|
ABC
|
[
"Ru",
"Te",
"V"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
23,
52,
44
] | 3
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_127547"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6788/MD_4059391608146677461256788.json
| null |
{"jid": "JVASP-78587_main-2", "hash": "4059391608146677461256788264633134546319556407433511204496430294169074226180667689218080537577384407965248629937907578394656439676191972047347323427711070", "id": "MD_4059391608146677461256788"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000304027787671457696041
|
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| 2025-04-16T18:01:59
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.958628
|
[
[
0,
0,
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[
0,
0,
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[
0,
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[
0,
0,
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[
0,
0,
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[
0,
0,
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] |
[
[
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0,
0
],
[
0,
-0.18354503,
0
],
[
0,
0,
0.1047264
]
] | false
| null | null | null | null | null | 0.014393
| 0.009595
| null |
CO_1299328217081592449193779
|
12993282170815924491937797280435521206859068493169597893059079592866920646968916679374393618599623537042944271937974267053802762100901604202545704508099143
|
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|
[
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0
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[
2.25162076,
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0
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[
0,
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7.38226922
]
] |
[
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[
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[
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[
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0.28406543786945243
]
] |
[
true,
true,
true
] |
Cu2Sb2Yb2
|
CuSbYb
|
ABC
|
[
"Cu",
"Sb",
"Yb"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] |
[
70,
70,
29,
29,
51,
51
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_77033"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8094/MD_6806960779130339832728094.json
| null |
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PO_1000487261819950233078275
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| 2025-04-17T18:37:27
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DS_720rbshv96l1_0
| 1
|
VASP
| null | -2.703396
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| null | null | null | null | null | 0
| 0
| null |
CO_1034483124592619524735875
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[
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true,
true
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PPd3
|
PPd3
|
A3B
|
[
"P",
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[
0.25,
0.75
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[
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46,
46,
46
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| 2
| 0
|
[
0,
0,
0
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6935/MD_1145870313807264335686935.json
| null |
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PO_1000449048828249230745156
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| 2025-04-16T21:27:46
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DS_720rbshv96l1_0
| 1
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VASP
| null | -5.190943
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CO_9250833548862357036527426
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[
true,
true,
true
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O10Si2Sr6
|
O5SiSr3
|
A5B3C
|
[
"O",
"Si",
"Sr"
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[
0.5555555555555556,
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38,
38,
38,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 18
| 3
| 0
|
[
0,
0,
0
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[
"id_prop_36781"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7142/MD_6559517056054372696567142.json
| null |
{"jid": "JVASP-37464_main-10", "hash": "6559517056054372696567142827835197227795908043592673346669763951415530336857172524644115792310902896949560697358681950449861232016102390186622101399417584", "id": "MD_6559517056054372696567142"}
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PO_1000450803382397324810719
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| 2025-04-16T21:28:46
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.34682
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0
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0
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[
0,
3.9853786,
0
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[
0,
0,
1.01516426
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] | false
| null | null | null | null | null | 0.057822
| 0.032995
| null |
CO_1163318016948471710824204
|
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0
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[
0,
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[
true,
true,
true
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Si2Tb2Ti2
|
SiTbTi
|
ABC
|
[
"Si",
"Tb",
"Ti"
] |
[
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
65,
65,
22,
22,
14,
14
] | 6
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_84734"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/2420/MD_1003782233608180354912420.json
| null |
{"jid": "JVASP-18237_main-1", "hash": "10037822336081803549124202200806442411609277758895589377554666885551959373854210425348450895924624313306120183354795914804144931596018202160417444677701318", "id": "MD_1003782233608180354912420"}
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|
PO_1000410802234994239637542
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| 2025-04-16T21:22:14
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -3.378551
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[
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0,
0,
0
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[
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[
0,
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[
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0
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[
0,
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0
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[
0,
0,
-0.22053431
]
] | false
| null | null | null | null | null | 0.001715
| 0.000857
| null |
CO_2752002558169260226216930
|
275200255816926022621693082508045017863767610855878534880021991047394799875978908015121219219070730237393176951242533881757886169620880170119884962255912
|
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[
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[
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[
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[
true,
true,
true
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Br2OSc
|
Br2OSc
|
A2BC
|
[
"Br",
"O",
"Sc"
] |
[
0.5,
0.25,
0.25
] |
[
21,
35,
35,
8
] | 4
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_214882"
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7258/MD_1189432306341328394867258.json
| null |
{"jid": "JVASP-134280_main-16", "hash": "11894323063413283948672580328839480670952961870371678469368298789175233612834757886522101781920025461687413861261150622920222474901254908934220173620891330", "id": "MD_1189432306341328394867258"}
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{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000483943147735756557710
|
10004839431477357565577101723606221346950418721274391658506745451385284480587233476323323772763591482729549329806356629603987998581159821277453439573042291
| 2025-04-16T15:40:19
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.575271
|
[
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0,
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0
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[
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0
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0,
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0
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[
0,
0,
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[
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[
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0.18147385,
0,
0
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[
0,
0.18147385,
0
],
[
0,
0,
-0.11014887
]
] | false
| null | null | null | null | null | 0.0045
| 0.0018
| null |
CO_8236208838831459272393371
|
8236208838831459272393371903623794674012620101684258426898635965096346716646355084908946496510339931083180642942237672873315837110047298675353211565818741
|
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[
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0
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[
0,
3.874969,
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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1.236770437274
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[
0,
0,
3.605296562726
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[
0,
0,
6.078837437274
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] |
[
true,
true,
true
] |
Co4Er2Si4
|
Co2ErSi2
|
A2B2C
|
[
"Co",
"Er",
"Si"
] |
[
0.4,
0.2,
0.4
] |
[
68,
68,
27,
27,
27,
27,
14,
14,
14,
14
] | 10
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_89225"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/4194/MD_3777410659087945091214194.json
| null |
{"jid": "JVASP-15170_elast-0", "hash": "3777410659087945091214194129675375888846865562291315404001649943919548579336347498802751072778499205441252009293685932821400464744636434277198569839788613", "id": "MD_3777410659087945091214194"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000475509174413651328079
|
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| 2025-04-16T21:38:17
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -0.440339
|
[
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0,
0,
0.05014915
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[
0,
0,
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[
0,
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[
0,
0,
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[
0,
0,
0.0009651
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[
0,
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[
[
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0,
0
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[
0,
-0.08248601,
0
],
[
0,
0,
-0.304102
]
] | false
| null | null | null | null | null | 0.051302
| 0.018447
| null |
CO_4441038467027608171032884
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4441038467027608171032884315693174510303725279510820051687262510369067262600070498420062382568795519357615704315889580570476938029534753881976982391513364
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|
[
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0
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[
2.287089,
3.961354,
0
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[
0,
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34.060861
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] |
[
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[
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13.493380389455
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[
2.287089,
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22.486142194410792
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[
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11.589718868165
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[
2.287089,
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18.663342237201
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] |
[
true,
true,
true
] |
I4Pb2
|
I2Pb
|
A2B
|
[
"I",
"Pb"
] |
[
0.6666666666666666,
0.3333333333333333
] |
[
82,
82,
53,
53,
53,
53
] | 6
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_17690"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/1139/MD_3870792417745290179181139.json
| null |
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PO_1000483783513616568036690
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| 2025-04-16T16:33:01
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DS_720rbshv96l1_0
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VASP
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Mg2Sn2Tm2
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MgSnTm
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ABC
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data/MD/5202/MD_1086845055867124744315202.json
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data/MD/8052/MD_7540365598839529774468052.json
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PO_1000497208318875109145480
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| 2025-04-16T21:51:00
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DS_720rbshv96l1_0
| 1
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VASP
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C3B2N6
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B2C3N6
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A6B3C2
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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/2406/MD_8847271425244199380782406.json
| null |
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PO_1000450763768538364976235
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| 2025-04-16T18:27:12
|
DS_720rbshv96l1_0
| 1
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VASP
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CO_1538085444620979854012147
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Rb3Sn
|
Rb3Sn
|
A3B
|
[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/6642/MD_1248626882136559665076642.json
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PO_1000474193040661502052736
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| 2025-04-16T18:30:26
|
DS_720rbshv96l1_0
| 1
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VASP
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CO_3694137286809279715441116
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Co6O16Zn4
|
Co3O8Zn2
|
A8B3C2
|
[
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[
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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/0872/MD_1242918293829094437870872.json
| null |
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PO_1000430161557684090824124
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| 2025-04-16T21:51:00
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -1.870245
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CO_1180661829503365965679338
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0,
0,
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[
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0
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[
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10.831527875896
],
[
1.69120366975,
2.789867299665,
8.574277939318
]
] |
[
true,
true,
true
] |
Cd3F18Rh3
|
CdF6Rh
|
A6BC
|
[
"Cd",
"F",
"Rh"
] |
[
0.125,
0.75,
0.125
] |
[
48,
48,
48,
45,
45,
45,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | 24
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_79210"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7329/MD_3911023445482885874487329.json
| null |
{"jid": "JVASP-17303_elast-14", "hash": "3911023445482885874487329124417752239363774067165757313877377110918646623312624928774237125625678848896813556636630605834929287110131941907798058517053949", "id": "MD_3911023445482885874487329"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000472645466258438151316
|
10004726454662584381513165761613076320699018746886567622171538274147555386165841760738713649053698118479971944250510467260218043761921480974040553593643693
| 2025-04-16T20:03:41
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.953988
|
[
[
0.32699892,
0.32699892,
0
],
[
0.32699892,
0.32699892,
0
],
[
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0
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[
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0
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[
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0
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[
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0
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[
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0
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0
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[
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0
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[
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0
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[
-1.80667428,
1.33033195,
0
],
[
-1.68347823,
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0
]
] |
[
[
34.95168163,
2.44287105,
0
],
[
2.44287105,
34.95168163,
0
],
[
0,
0,
72.44536862
]
] | false
| null | null | null | null | null | 3.523627
| 2.083304
| null |
CO_8181215145490166376947099
|
8181215145490166376947099231504536555511810704400587101099027539380836276719799888909521188891703592113074641580534137394547351011823652226775765689333052
|
4106418695020780312379098267200404065775345642112654838808753443750258228666177091741158913707987962371648386907749273397101439115622011984532212135342355
|
[
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0,
0
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[
0,
6.31367,
0
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[
0,
0,
5.5633165
]
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[
[
0,
0,
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[
0,
0,
4.172487375
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[
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2.78165825
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0
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0
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[
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[
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0
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4.2330933675426,
2.78165825
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[
2.0805766324574,
5.2374116324574,
0
]
] |
[
true,
true,
true
] |
Co4Zr8
|
CoZr2
|
A2B
|
[
"Co",
"Zr"
] |
[
0.3333333333333333,
0.6666666666666666
] |
[
27,
27,
27,
27,
40,
40,
40,
40,
40,
40,
40,
40
] | 12
| 2
| 0
|
[
0,
0,
0
] |
[
"id_prop_271818"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/7440/MD_4881438362890366658447440.json
| null |
{"jid": "JVASP-149460_elast-5", "hash": "4881438362890366658447440635173208757094700579019693201340295725856461599925164587934278781179618793436733504423021133817855174612792950262274068891910390", "id": "MD_4881438362890366658447440"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000433741158186449022499
|
1000433741158186449022499501329087340047781361529713183454014085601583277832803891322617093069480066486114595481838947091649122644797441949619961068037806
| 2025-04-16T21:56:50
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -4.865416
|
[
[
0,
0.0560834,
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[
0,
0.0560834,
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[
0,
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[
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[
0,
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[
0,
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[
0,
0.74689172,
1.03921907
]
] |
[
[
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0,
0
],
[
0,
-181.39380961,
-50.57667219
],
[
0,
-50.57667211,
-71.3683488
]
] | false
| null | null | null | null | null | 1.279775
| 0.661421
| null |
CO_8374810673265474098023646
|
837481067326547409802364679471341256779035669754241345250046864159966868821634344397144846692937035927229643375130889611358240748499774812506523401118267
|
11661304640418124782851212497426736071220243159606338424014460752432379302226502827229751949573495474766373449332065463710521769887844520674626664825652975
|
[
[
0,
5.633621,
0
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[
2.836777,
0,
0
],
[
0,
-0.316551,
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]
] |
[
[
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[
0,
3.6252931566960003,
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[
1.4183885,
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[
0,
1.8324578071239996,
-3.9487441247170003
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[
0,
3.5374570809379997,
-1.098912654565
]
] |
[
true,
true,
true
] |
Li2Mn2O4
|
LiMnO2
|
A2BC
|
[
"Li",
"Mn",
"O"
] |
[
0.25,
0.25,
0.5
] |
[
3,
3,
25,
25,
8,
8,
8,
8
] | 8
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_108643"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/8424/MD_6941058499220697323488424.json
| null |
{"jid": "JVASP-8640_elast-0", "hash": "6941058499220697323488424179169341144014186465383782817072636621772818585850806175111765005212434229989316346544437372512675768816598118738712202332529007", "id": "MD_6941058499220697323488424"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1000468265303291676121045
|
10004682653032916761210455917512015529416396488863468796075495211916975970932658569901442207977226269655057070418026085442815100808356512428215991622290451
| 2025-04-16T22:03:29
|
DS_720rbshv96l1_0
| 1
|
VASP
| null | -6.707768
|
[
[
-0.07992026,
0.06201631,
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[
0.07992026,
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0.01982058
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[
0.07992026,
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],
[
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[
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[
0.02377939,
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
0.15100353,
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0.03756732,
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[
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[
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[
0,
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0
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[
0.03756732,
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[
0.13322527,
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[
0.00758057,
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[
0,
0,
0
]
] |
[
[
-3.80715444,
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0
],
[
-5.84893418,
-6.80602009,
0
],
[
0,
0,
-4.70123925
]
] | false
| null | null | null | null | null | 0.193751
| 0.134297
| null |
CO_7040951394746208838083786
|
7040951394746208838083786483175330745693747968662374688256917693755118644734637717817590128804916203989596573277357610281917337731732861348405046246135734
|
9587620394899331897154913770193907342362368878932938988782370206619923773826635009787208455532651086502184611778010971508446022233152831805965492395339775
|
[
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0
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[
-1.440474,
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0
],
[
0,
0,
12.998963
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] |
[
[
0.7073341841899999,
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[
3.7473788158100003,
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[
0.07954831581000002,
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12.051039621151
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
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[
-0.837494366973,
3.710098432227,
5.407633602815
],
[
0,
0,
0
]
] |
[
true,
true,
true
] |
O18P4Th4
|
O9P2Th2
|
A9B2C2
|
[
"O",
"P",
"Th"
] |
[
0.6923076923076923,
0.15384615384615385,
0.15384615384615385
] |
[
90,
90,
90,
90,
15,
15,
15,
15,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 26
| 3
| 0
|
[
0,
0,
0
] |
[
"id_prop_70312"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
|
data/MD/5498/MD_9465552114291135013155498.json
| null |
{"jid": "JVASP-26783_main-0", "hash": "9465552114291135013155498113173175555438950671678767536433060616859464670136825864138501819898897201295861299117488299213701139541846659495496917400219547", "id": "MD_9465552114291135013155498"}
|
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
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