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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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CO_1268861265734202578270989
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A48B16C
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A16B12C4D3E
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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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CO_7757909755709019247824026
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H2As12N2Os12Se12
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As6HNOs6Se6
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A6B6C6DE
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000708107425401013493754
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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_5046248455011793122630466
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C2H3Cr16ORh32Sn16
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C2Cr16H3ORh32Sn16
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A32B16C16D3E2F
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[
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[
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PO_1000797270740798489622367
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| 2025-04-17T18:16:17
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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_3614475062420144670281846
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C2H2K48P16
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CHK24P8
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A24B8CD
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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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HN2Na24OS48Sb24
|
HN2Na24OS48Sb24
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A48B24C24D2EF
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[
"H",
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| 6
| 0
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000786127831288338339223
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| 2025-04-16T17:13:10
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -3.74693
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1969321875033623337136859
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C2H3Ir20Re60
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C2H3Ir20Re60
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A60B20C3D2
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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 |
CO_9439437077027401967792975
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C2Ag24Ca40
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Ag12CCa20
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A20B12C
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1000866938174180949700120
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DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
| 3.742137
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9389897942669324807344352
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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A32B20C4D2E
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DS_armtbsouma25_0
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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 |
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DS_armtbsouma25_0
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[] |
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C2Cd12Sr12
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CCd6Sr6
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A6B6C
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4914911569909128579249526
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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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CH4As24N2OOs24Te24
|
As24CH4N2OOs24Te24
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A24B24C24D4E2FG
|
[
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[
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| 7
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4914797828454340264625630
|
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| 2025-04-16T16:54:00
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -0.731559
|
[] |
[] | null | null | null | null | null | null | null | null | null |
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CH3OSb16Se24
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CH3OSb16Se24
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A24B16C3DE
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4914131620277805245876585
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| 2025-04-16T20:56:38
|
DS_armtbsouma25_0
| 1
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VASP
|
DFT-rPBE
| -3.321685
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5837884081787202185016188
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CH3Al16OSc48
|
Al16CH3OSc48
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A48B16C3DE
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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_4914524953483500581641859
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| 2025-04-16T21:43:16
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| 3.256388
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1276262239882356068140118
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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[] |
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C2H6ORh32Te32
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C2H6ORh32Te32
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A32B32C6D2E
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T18:14:58
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DS_armtbsouma25_0
| 1
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VASP
|
DFT-rPBE
| -5.007681
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6762018132074845804566669
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[
true,
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true
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C2H2Co18O2Te36
|
CCo9HOTe18
|
A18B9CDE
|
[
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[
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| 5
| 0
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4914842320062716019158308
|
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| 2025-04-16T15:43:54
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -3.816357
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8955189305510274297305640
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HAl16Co32NOTa16
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Al16Co32HNOTa16
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A32B16C16DEF
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4914059013130865317595062
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| 2025-04-16T20:17:40
|
DS_armtbsouma25_0
| 1
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VASP
|
DFT-rPBE
| -1.409755
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1216661273059179132218558
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true,
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CH3Ir32OSn32
|
CH3Ir32OSn32
|
A32B32C3DE
|
[
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| 5
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4914160047817192142081167
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| 2025-04-16T17:13:54
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DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.169301
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_7760774370963195661706981
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C2H4Mo9O2Pt27
|
C2H4Mo9O2Pt27
|
A27B9C4D2E2
|
[
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DS_armtbsouma25_0
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C2H3Al24Co72O2
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Al24C2Co72H3O2
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A72B24C3D2E2
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4917646970596173269867506
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
| 2.447949
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2343941395384233016157990
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N2OOs32Si64
|
N2OOs32Si64
|
A64B32C2D
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[
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[
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| 4
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4916638433443281982491238
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| 2025-04-16T20:31:48
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -3.918815
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8951204141729266242800734
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C2H2Al8OSc24
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Al8C2H2OSc24
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A24B8C2D2E
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[
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DS_armtbsouma25_0
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A32B16C3D
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DS_armtbsouma25_0
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CH4Hg32Na32
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CH4Hg32Na32
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A32B32C4D
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T17:10:53
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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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[] |
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N2Nb72Si24
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A36B12C
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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_1261653922233278317055861
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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C2H4Bi32O2Rb48
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Bi16CH2ORb24
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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 |
CO_4685442905126665102423584
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C2H2O2Rh18Sn72
|
CHORh9Sn36
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A36B9CDE
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[
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| 5
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4916539248470210298373154
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| 2025-04-16T18:52:57
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.735404
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6627381796553348193433150
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DS_armtbsouma25_0
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HIn8N2Ti24
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A24B8C2D
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PO_4916612333245322488993343
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| 2025-04-16T17:56:28
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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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HNi40Sn20Zr20
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A40B20C20D
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4916497954184605452450574
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| 2025-04-16T17:23:23
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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_7267351489431819755874419
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DS_armtbsouma25_0
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CGa6H2Ir6OSc12
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DS_armtbsouma25_0
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PO_4916737225446496880170885
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| 2025-04-16T17:45:46
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DS_armtbsouma25_0
| 1
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VASP
|
DFT-rPBE
| 0.537813
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8166810250801053277897391
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C56HN2Nb80
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C56HN2Nb80
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A80B56C2D
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4916237959174121922103262
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| 2025-04-16T17:56:02
|
DS_armtbsouma25_0
| 1
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VASP
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DFT-rPBE
| 1.002436
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3845467811351769064975242
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DS_armtbsouma25_0
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VASP
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A60B20C2D2E
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T18:24:30
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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_5441793470006438381300309
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DS_armtbsouma25_0
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DS_armtbsouma25_0
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A30B18C3D
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DS_armtbsouma25_0
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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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[] |
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CO_1330993614212893457895721
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C2H2OSb24Te36
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A36B24C2D2E
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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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A60B30C6D6E2F
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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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CH2In48Ir16O
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CH2In48Ir16O
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A48B16C2DE
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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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C2H5Co16Nb16O2Te32
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C2Co16H5Nb16O2Te32
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A32B16C16D5E2F2
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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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Ge24N2OPd24Ti24
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A24B24C24D2E
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4926629092368743523187059
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| 2025-04-16T17:12:08
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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_5130990216721030485924639
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C2H3Ge16Sr16
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C2Ge16H3Sr16
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A16B16C3D2
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4926759048157778571024145
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| 2025-04-16T21:30:02
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| 1.5842
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1077787408512192621933430
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DS_armtbsouma25_0
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A24B24C24D2E
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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_1245259963353630707021981
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DS_armtbsouma25_0
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VASP
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DS_armtbsouma25_0
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Al24CHHf8O
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A24B8CDE
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data/MD/5202/MD_1086845055867124744315202.json
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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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DS_armtbsouma25_0
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VASP
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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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[] |
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CO_3781013166049047261651343
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DS_armtbsouma25_0
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PO_4918296065425338801203662
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| 2025-04-16T19:57:46
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.697021
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5685776224135436653712698
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[
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C2HOPt60Si20
|
C2HOPt60Si20
|
A60B20C2DE
|
[
"C",
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"O",
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| 5
| 0
|
[
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[
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"ocp_all_2381"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4918515020465343327823758
|
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| 2025-04-16T17:11:48
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.773788
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6358527676796739766673219
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[
true,
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true
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CNTe16Zr48
|
CNTe16Zr48
|
A48B16CD
|
[
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[
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| 4
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4918335990198381147273485
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| 2025-04-16T21:13:01
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -2.74588
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8463376759008457645311764
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Al40N2OTi40
|
Al40N2OTi40
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A40B40C2D
|
[
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[
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| 4
| 0
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[
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0
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[
"ocp10k_516",
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4923433750389591509999968
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| 2025-04-16T18:45:26
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| -1.761204
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5560495506273279820115418
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[
true,
true,
true
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CH4Al40N2ORh16
|
Al40CH4N2ORh16
|
A40B16C4D2EF
|
[
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[
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| 6
| 0
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[
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[
"ocp100k_24552",
"ocp_all_24552"
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4923354628110002010159653
|
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| 2025-04-16T21:13:40
|
DS_armtbsouma25_0
| 1
|
VASP
|
DFT-rPBE
| 0.322619
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_8967579354966257742437390
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C2H2O2Sb64
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CHOSb32
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A32BCD
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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_7974847487473267028794149
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C2H4Mn6O2Se30Zn24
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CH2Mn3OSe15Zn12
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A15B12C3D2EF
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PO_4923678293738625047358271
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| 2025-04-16T16:29:31
|
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_1245828528611648024498040
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DS_armtbsouma25_0
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[] |
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Al18NPd30
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A30B18C
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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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C2H4Nb16OPt48
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DS_armtbsouma25_0
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DFT-rPBE
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DS_armtbsouma25_0
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NORh32Ti32
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A32B32CD
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DS_armtbsouma25_0
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VASP
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[] |
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C2H5OS32Zn32
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A32B32C5D2E
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DS_armtbsouma25_0
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VASP
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DFT-rPBE
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Ca16Hg32NO3
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Ca16Hg32NO3
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A32B16C3D
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4923718015398260380207169
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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_2954870664374965117354071
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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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DS_armtbsouma25_0
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C2Co16H5Mo16OTi32
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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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[
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] |
[
true,
true,
true
] |
NPt36
|
NPt36
|
A36B
|
[
"N",
"Pt"
] |
[
0.02702702702702703,
0.972972972972973
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[
78,
78,
78,
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78,
78,
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78,
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78,
78,
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78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
7
] | 37
| 2
| 0
|
[
0,
0,
0
] |
[
"ocp10k_17394",
"ocp10k_42337",
"ocp100k_132337",
"ocp100k_107394",
"ocp_all_492665",
"ocp_all_467722"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
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