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DS_6dcul0b17524_0
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C2H2K24O2Sn12Te60
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CHK12OSn6Te30
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A30B12C6DEF
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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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| 2025-04-16T21:51:00
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DS_6dcul0b17524_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_4803256358078025833786955
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C2H4Cu32OSi32Y16
|
C2Cu32H4OSi32Y16
|
A32B32C16D4E2F
|
[
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| 6
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[
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"ocp_all_506774"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4916464121379981420698328
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| 2025-04-16T17:11:09
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| 0.575424
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5192023454272531238473071
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DS_6dcul0b17524_0
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4919797285285146828501017
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| 2025-04-16T16:57:14
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DS_6dcul0b17524_0
| 1
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VASP
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DFT-rPBE
| -5.227277
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4619356336016531744730483
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C2H4Al48Hf48O2
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Al24CH2Hf24O
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A24B24C2DE
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4919759784936058306274814
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| 2025-04-16T18:54:02
|
DS_6dcul0b17524_0
| 1
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VASP
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DFT-rPBE
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[] |
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CO_9262932302619933436030710
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DS_6dcul0b17524_0
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DS_6dcul0b17524_0
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VASP
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[] |
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C2H4O2Tc72
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CH2OTc36
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A36B2CD
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data/MD/5202/MD_1086845055867124744315202.json
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DS_6dcul0b17524_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_1037865947451637502759163
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HAu36Sn12
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Au36HSn12
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A36B12C
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4926759499165872349479754
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DS_6dcul0b17524_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_7934261203648831439987367
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C2H3Co12O2Zr36
|
C2Co12H3O2Zr36
|
A36B12C3D2E2
|
[
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| 5
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[
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"ocp100k_122644",
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4918988526169951685719710
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| 2025-04-16T17:55:11
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| 0.297114
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4418318037455330537529564
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true
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C2H4Cu24O2Te16
|
CCu12H2OTe8
|
A12B8C2DE
|
[
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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_4918066071260828653422373
|
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| 2025-04-16T18:47:30
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| 1.694152
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5877659924113347872252153
|
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DS_6dcul0b17524_0
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Ge4NOSe12Tl8
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A12B8C4DE
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DS_6dcul0b17524_0
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CH4OSn40Ti48
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A48B40C4DE
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DS_6dcul0b17524_0
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VASP
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A21B12C
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DS_6dcul0b17524_0
| 1
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VASP
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DFT-rPBE
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[] |
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CO_1074298298985580369427596
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CH3Mn24OSi12V12
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A24B12C12D3EF
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4923164913154787430070019
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DS_6dcul0b17524_0
| 1
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VASP
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DFT-rPBE
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CO_1277814358159088549073363
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A30B30C5D2E
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| 2025-04-16T19:49:36
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DS_6dcul0b17524_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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CH3OSe36Ti36
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CH3OSe36Ti36
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A36B36C3DE
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PO_4902213139213012935485456
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| 2025-04-17T18:16:17
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DS_6dcul0b17524_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_2234866059124715696116835
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C2H5Na16OSe24Te8
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C2H5Na16OSe24Te8
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A24B16C8D5E2F
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4902790861343751434400722
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| 2025-04-16T18:27:12
|
DS_6dcul0b17524_0
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VASP
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DFT-rPBE
| -0.866562
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5605109790654709323128261
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CH3N24Os8Sr24
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CH3N24Os8Sr24
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A24B24C8D3E
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data/MD/5202/MD_1086845055867124744315202.json
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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C2HSe36Ti72
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A72B36C2D
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[
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T20:42:25
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DS_6dcul0b17524_0
| 1
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VASP
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DFT-rPBE
| 0.562195
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[] |
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Bi32C2HNa32OS64
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A64B32C32D2EF
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4904560493054156482183979
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| 2025-04-16T16:48:35
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| 0.006211
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1122842219053975936572323
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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A64B32C6D2E2F
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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C2H3Al16Cu36
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Al16C2Cu36H3
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A36B16C3D2
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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Ag60OZn20
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Ag60OZn20
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A60B20C
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data/MD/5202/MD_1086845055867124744315202.json
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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A60B20C3D
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data/MD/5202/MD_1086845055867124744315202.json
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DS_6dcul0b17524_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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CH4Ca48In48
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CCa48H4In48
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A48B48C4D
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[
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data/MD/5202/MD_1086845055867124744315202.json
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DS_6dcul0b17524_0
| 1
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VASP
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DFT-rPBE
| -2.545392
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1100647227512675620412372
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DS_6dcul0b17524_0
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DS_6dcul0b17524_0
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DS_6dcul0b17524_0
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DS_6dcul0b17524_0
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VASP
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[] |
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H2Co36In24N2S24
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Co18HIn12NS12
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A18B12C12DE
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DS_6dcul0b17524_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_9645728185021414354543516
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C2H3Al16Ga16P32
|
Al16C2Ga16H3P32
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A32B16C16D3E2
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[
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DS_6dcul0b17524_0
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Mn36NO2Te36
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Mn36NO2Te36
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A36B36C2D
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4921938336128313093293719
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DS_6dcul0b17524_0
| 1
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VASP
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DFT-rPBE
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[] |
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CO_8936516374792822793708218
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C2H4Ca24Hg24O
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C2Ca24H4Hg24O
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A24B24C4D2E
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data/MD/5202/MD_1086845055867124744315202.json
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DS_6dcul0b17524_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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C2H5Ca44Fe8N40O
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C2Ca44Fe8H5N40O
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A44B40C8D5E2F
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4921912333308911415209560
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| 2025-04-16T17:55:11
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DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| -0.959415
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1114892908886591955188301
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DS_6dcul0b17524_0
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A24B8C2D2E
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DS_6dcul0b17524_0
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HN2Sn16Ta48
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HN2Sn16Ta48
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A48B16C2D
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4925630787525449841615197
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| 2025-04-16T18:40:35
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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CO_1377844590271885428972902
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A30B10C2D
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DS_6dcul0b17524_0
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VASP
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A24B24C3D2E2
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data/MD/5202/MD_1086845055867124744315202.json
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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H2Nb45OSe72Sn9
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H2Nb45OSe72Sn9
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A72B45C9D2E
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[
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T22:04:30
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DS_6dcul0b17524_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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NO2Pd72
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NO2Pd72
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A72B2C
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4928875589884182534797643
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| 2025-04-16T17:50:51
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| -2.804819
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3906222465401073679970351
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H3Al48NOPt32
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Al48H3NOPt32
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A48B32C3DE
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4938411522439356888389427
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| 2025-04-16T21:21:56
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DS_6dcul0b17524_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_7822888139716017897940510
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-17T17:45:49
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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CO_6661336398444491718608872
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CGe4Pb8S16
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CGe4Pb8S16
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A16B8C4D
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PO_4927159130040166005095920
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DS_6dcul0b17524_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_1921585892884320131005913
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Ca16NZn32
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A32B16C
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DS_6dcul0b17524_0
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C2H3Mo48O2P30
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A48B30C3D2E2
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PO_1003258383888200830013085
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| 2025-04-16T21:23:51
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DS_6dcul0b17524_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_6925113770175111060943455
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data/MD/5202/MD_1086845055867124744315202.json
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DS_6dcul0b17524_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_6dcul0b17524_0
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CH2Hf20OSn12
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DS_6dcul0b17524_0
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A24B8C3D2E
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DS_6dcul0b17524_0
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CCa12HHg8O
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DS_6dcul0b17524_0
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DS_6dcul0b17524_0
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DS_6dcul0b17524_0
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DS_6dcul0b17524_0
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VASP
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DS_6dcul0b17524_0
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| 2025-04-16T17:39:34
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| -4.645019
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2205900543247431218654952
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[
true,
true,
true
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C2H3Al40Cu8S64
|
Al40C2Cu8H3S64
|
A64B40C8D3E2
|
[
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"H",
"S"
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| 5
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[
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"ocp100k_144193",
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_1004192165752587449731128
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| 2025-04-16T18:25:21
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| -0.227966
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3973825285959617288469377
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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A36B2C2D
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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DS_6dcul0b17524_0
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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Cr24NS48Ti12
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Cr24NS48Ti12
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[
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DS_6dcul0b17524_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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C2H3Al36Y12
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Al36C2H3Y12
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A36B12C3D2
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[
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[
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PO_1004469377275303730389269
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| 2025-04-16T20:19:31
|
DS_6dcul0b17524_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_1011290616810517291297293
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[
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C2HAl36Pt60
|
Al36C2HPt60
|
A60B36C2D
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DS_6dcul0b17524_0
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VASP
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PO_1004439638851373507784421
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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C2H3Co6Se30Zn24
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C2Co6H3Se30Zn24
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A30B24C6D3E2
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DS_6dcul0b17524_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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C2H4Cd8O2Pt16Sr16
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CCd4H2OPt8Sr8
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A8B8C4D2EF
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| 2025-04-17T18:06:06
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DS_6dcul0b17524_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_1213943155217413321229044
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CAl24NSr12
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Al24CNSr12
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A24B12CD
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DS_6dcul0b17524_0
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VASP
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| 2025-04-16T18:56:45
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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DS_6dcul0b17524_0
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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DS_6dcul0b17524_0
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PO_1004772841908476748804119
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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| 2025-04-16T18:24:27
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DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| 2.143182
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6546119411398139885371270
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HNOTc36
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HNOTc36
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A36BCD
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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| 2025-04-16T16:26:20
|
DS_6dcul0b17524_0
| 1
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VASP
|
DFT-rPBE
| -3.922494
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4524652728242639411660906
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C2H4O2Si24Ta72
|
CH2OSi12Ta36
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A36B12C2DE
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1004621059312533370077779
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| 2025-04-16T16:29:45
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| -2.017312
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1161201537915554373467689
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[
5.596558570861816,
1.2571804523468018,
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] |
[
true,
true,
true
] |
CH2Hf12Sc12Si24
|
CH2Hf12Sc12Si24
|
A24B12C12D2E
|
[
"C",
"H",
"Hf",
"Sc",
"Si"
] |
[
0.0196078431372549,
0.0392156862745098,
0.23529411764705882,
0.23529411764705882,
0.47058823529411764
] |
[
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21,
21,
21,
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14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
6,
1,
1
] | 51
| 5
| 0
|
[
0,
0,
0
] |
[
"ocp10k_34485",
"ocp10k_59428",
"ocp100k_124485",
"ocp100k_149428",
"ocp_all_484813",
"ocp_all_509756"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
{"hash": "10868450558671247443152026947160338505683745266658651051718065983487878962987857602829315249215796444208488632888003673539585986066311769564391053988452926", "id": "MD_1086845055867124744315202"}
|
PO_1004623969439232094903494
|
10046239694392320949034947924333490314303384153338730156548526305362442419700444695716531065125943391160957562085962659942712491850110629648115722349761826
| 2025-04-16T21:22:14
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| 0.514837
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1019503697184144591369999
|
10195036971841445913699999021231626914167183345982732258417050694190972820175097708942576650448783225724112993188646886674674743988210565333041494815232804
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|
[
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2.242109537124634
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[
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[
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22.507783889770508
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[
1.8437857627868652,
3.9812352657318115,
22.001741409301758
]
] |
[
true,
true,
true
] |
C2HNa6OSb6Te12
|
C2HNa6OSb6Te12
|
A12B6C6D2EF
|
[
"C",
"H",
"Na",
"O",
"Sb",
"Te"
] |
[
0.07142857142857142,
0.03571428571428571,
0.21428571428571427,
0.03571428571428571,
0.21428571428571427,
0.42857142857142855
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52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
6,
6,
1,
8
] | 28
| 6
| 0
|
[
0,
0,
0
] |
[
"ocp10k_23129",
"ocp10k_48072",
"ocp100k_113129",
"ocp100k_138072",
"ocp_all_498400",
"ocp_all_473457"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
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