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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T16:00:44
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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|
[] |
[] | null | null | null | null | null | null | null | null | null |
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C2Ge72Zr36
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CGe36Zr18
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A36B18C
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T21:44:51
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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H2Mn60O
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H2Mn60O
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A60B2C
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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[] |
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C2H3Ni20Os20Sc40
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C2H3Ni20Os20Sc40
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PO_1000911734470201785533019
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1213182944828140413282479
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-17T18:48:22
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4035501831749644186912411
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CH3Cl36Fe18O
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A36B18C3DE
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000967039063056447770627
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| 2025-04-16T16:32:50
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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CO_8145811781588520599600336
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A36B12C6D
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000967017813613824480116
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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CO_1034398464053584753228251
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C2H3Sc24Si24
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C2H3Sc24Si24
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A24B24C3D2
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[
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T21:13:40
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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C2H33Fe32OTi32
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C2Fe32H33OTi32
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A33B32C32D2E
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000957861654731162277334
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| 2025-04-16T21:51:00
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DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -2.983544
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5831233261675680669282428
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DS_armtbsouma25_0
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DFT-rPBE
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Ga48N2O4P48
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A24B24C2D
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[
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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Hg16NOPd48
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Hg16NOPd48
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A48B16CD
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PO_1001043169514103695042524
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| 2025-04-16T15:18:29
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DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1062779951108451377402490
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CH2Hg12K12
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CH2Hg12K12
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A12B12C2D
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T18:12:11
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DS_armtbsouma25_0
| 1
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VASP
|
DFT-rPBE
| 0.266263
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3136223351608532143061034
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C2H4Au60O2
|
Au30CH2O
|
A30B2CD
|
[
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[
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[
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"ocp100k_140974",
"ocp100k_116031",
"ocp_all_501302",
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1001079020970697100859239
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| 2025-04-16T15:46:01
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -2.118484
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1162475199180842594620963
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C2H2K20O2
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CHK10O
|
A10BCD
|
[
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[
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19,
6,
6,
1,
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8
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| 4
| 0
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1001032214630220694625939
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| 2025-04-16T15:14:02
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -3.330367
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8800707536081937272405498
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DS_armtbsouma25_0
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[
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T17:52:43
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DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2725209914005191559465174
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C2H4ORb32
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C2H4ORb32
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A32B4C2D
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[
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| 2025-04-16T16:32:15
|
DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1807126007215048194480244
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C2HCa32Cu16O
|
C2Ca32Cu16HO
|
A32B16C2DE
|
[
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[
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PO_1001122558784409855620583
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| 2025-04-16T18:57:08
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3750543705044601655232177
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C2H2Ir72O
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A72B2C2D
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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HAu12N2OZr36
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Au12HN2OZr36
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A36B12C2DE
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PO_1001166541146965237090513
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| 2025-04-16T16:32:22
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DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
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[] |
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CO_9339883246937833215920608
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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VASP
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NO2Pt48V16
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A48B16C2D
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DS_armtbsouma25_0
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VASP
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Au72NO3
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Au72NO3
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A72B3C
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PO_1001144397435623496816598
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| 2025-04-16T21:52:07
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1321308566878347464604722
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[
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C2H34Nb48O2Sn16
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CH17Nb24OSn8
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A24B17C8DE
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[
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[
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| 5
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[
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"ocp100k_123146",
"ocp100k_148089",
"ocp_all_483474",
"ocp_all_508417"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
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PO_1001257554454677949318220
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| 2025-04-17T17:56:16
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.362723
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1981310796110246493637064
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DS_armtbsouma25_0
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C2H2Cr16O2Se24
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CCr8HOSe12
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A12B8CDE
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[
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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H3NRh36Te64
|
H3NRh36Te64
|
A64B36C3D
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1001238522337356430228155
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| 2025-04-16T21:38:17
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -2.508981
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1873240778047043080816284
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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C2H5Ca32Zn32
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C2Ca32H5Zn32
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A32B32C5D2
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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C2H3N60OTa60
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A60B60C3D2E
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1833928407600226494321834
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C2H2Au12Y18
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Au6CHY9
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A9B6CD
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1001397109416692404583682
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| 2025-04-16T18:55:10
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DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1001333939415242615829569
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| 2025-04-16T18:57:59
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3080541852284618433604064
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C2H4Au24O2Pd48Zn24
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Au12CH2OPd24Zn12
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A24B12C12D2EF
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1001344762739294241329240
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DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3474350848853661434448132
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CH2Ga40
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CGa40H2
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A40B2C
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PO_1001355594954113905471454
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| 2025-04-16T15:45:50
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DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3354737901721562889881752
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C2H5Ga16Hf16Zn32
|
C2Ga16H5Hf16Zn32
|
A32B16C16D5E2
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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CO_2342483063763460437169809
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| 2025-04-16T18:01:59
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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C2H4O2Ru36Ta54
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CH2ORu18Ta27
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A27B18C2DE
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1001484048843913653906266
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| 2025-04-16T15:41:03
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4337822127786606319198030
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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C2H4Ni16ORe16Ti32
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A32B16C16D4E2F
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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CH2Mn12OV36
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A36B12C2DE
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1001460110261159416689701
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| 2025-04-16T20:24:05
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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As36CH4Hf36N2O
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T18:12:40
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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CGe12H2Nb18OV18
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A18B18C12D2EF
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T21:56:50
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -4.703847
|
[] |
[] | null | null | null | null | null | null | null | null | null |
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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DS_armtbsouma25_0
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CH3Cs9Te66
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CCs9H3Te66
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A66B9C3D
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3393688156115716180225669
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HOZr48
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HOZr48
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A48BC
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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CO_7029681602800682476184306
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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A48B24C3D
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DS_armtbsouma25_0
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A48B16CD
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DS_armtbsouma25_0
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DFT-rPBE
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[] |
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HN2Pt36Zn36
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A36B36C2D
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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Cr16NO3Ru16V32
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Cr16NO3Ru16V32
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A32B16C16D3E
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1002586768348859915875892
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DS_armtbsouma25_0
| 1
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VASP
|
DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5102822846401385861886721
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Ir48OP24
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Ir48OP24
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A48B24C
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DS_armtbsouma25_0
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CH2Ge16OSr8
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CGe16H2OSr8
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A16B8C2DE
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DS_armtbsouma25_0
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CAu16Ca40N
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A40B16CD
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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CO_9974948550967627751303815
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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[] |
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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A32B16C3DE
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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N2OPd72Ta36
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N2OPd72Ta36
|
A72B36C2D
|
[
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DS_armtbsouma25_0
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1124036608365572880024836
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H3Ga20NRh40Sc20
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DS_armtbsouma25_0
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VASP
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NSn16Ti48
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A48B16C
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[
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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CO_7830247856029107882475390
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PO_1002566876825043584108756
|
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| 2025-04-17T18:48:22
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -4.692448
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7105869667509485139928380
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[
true,
true,
true
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CH4Ca54N2OSi108
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CCa54H4N2OSi108
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A108B54C4D2EF
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_1002664696024200855867644
|
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| 2025-04-16T17:19:33
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
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[] | null | null | null | null | null | null | null | null | null |
CO_2464817568594123579669918
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C2H2Ge12Mn24Se48
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CGe6HMn12Se24
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A24B12C6DE
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1002635075172834733155485
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| 2025-04-16T16:46:49
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5088090897764688417248202
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HHg20Na60
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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A36B27C5D2E
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data/MD/5202/MD_1086845055867124744315202.json
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
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C2H5Fe24Nb24O2Te48
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C2Fe24H5Nb24O2Te48
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A48B24C24D5E2F2
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T21:23:51
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DS_armtbsouma25_0
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VASP
|
DFT-rPBE
| -2.817321
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2431082243822674097947512
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CH4Rh54Sb18
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A54B18C4D
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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C2H5In16Na32O
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C2H5In16Na32O
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A32B16C5D2E
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1002603987155403384106040
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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[] |
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C2H6Ag16N2OZr32
|
Ag16C2H6N2OZr32
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A32B16C6D2E2F
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1002717874578445772646874
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| 2025-04-16T19:49:43
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -2.734826
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4454078009939995842618967
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Ga16OZr48
|
Ga16OZr48
|
A48B16C
|
[
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
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