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| 2025-04-16T20:26:39
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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C60H2N2Si60
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C30HNSi30
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A30B30CD
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1004651523570126850202119
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| 2025-04-16T17:18:49
|
DS_6dcul0b17524_0
| 1
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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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VASP
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DFT-rPBE
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[] |
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C2H2OPd32Y32
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C2H2OPd32Y32
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A32B32C2D2E
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1005643845037307636045531
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| 2025-04-16T21:35:56
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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_7843872171551253657961938
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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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[] |
[] | null | null | null | null | null | null | null | null | null |
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C2H5Ge32Zr32
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A32B32C5D2
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1005838643734418306806489
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| 2025-04-16T21:52:07
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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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Al36CH2Hf24Pd12
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A36B24C12D2E
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1005874073056558116483887
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DS_6dcul0b17524_0
| 1
|
VASP
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DFT-rPBE
| -2.073794
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_9624558175483782124033619
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HGa36NY60
|
Ga36HNY60
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A60B36CD
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[
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A24B12C12D5E2F2
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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DS_6dcul0b17524_0
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C2H5Sc24Ta24Tc48
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A48B24C24D5E2
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DS_6dcul0b17524_0
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VASP
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[] |
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C2Ca12Na12OPb24
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C2Ca12Na12OPb24
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A24B12C12D2E
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PO_1006176334253745680315104
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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CO_1803814501893856617430279
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CH3K16O
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CH3K16O
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A16B3CD
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[
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PO_1006207567131011465053763
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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_1245683574135945134617627
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A12B12C12D4E
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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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A24B12C4D2EF
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A90B36C
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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A48B24C3D2
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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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A16B16CD
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PO_1006407698743255227504787
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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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A16B8C2D
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DS_6dcul0b17524_0
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DFT-rPBE
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HGa24N2Sb24
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Ga24HN2Sb24
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A24B24C2D
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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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H2Bi16Ir16N2OTe16
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Bi16H2Ir16N2OTe16
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A16B16C16D2E2F
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[
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PO_1005176430409963603211751
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| 2025-04-16T21:37:22
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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_7981798419882211944313760
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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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DS_6dcul0b17524_0
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DS_6dcul0b17524_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_6dcul0b17524_0
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VASP
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DFT-rPBE
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[] |
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H2Ir12N2Re36
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HIr6NRe18
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A18B6CD
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DS_6dcul0b17524_0
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VASP
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[] |
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1005336294909563342867425
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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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C2H4Ga16Mn32OTi16
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C2Ga16H4Mn32OTi16
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A32B16C16D4E2F
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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 |
CO_1068081774353276744782256
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C2H75OPd24Ti48
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C2H75OPd24Ti48
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A75B48C24D2E
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1005405117332812743845058
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| 2025-04-16T21:17:32
|
DS_6dcul0b17524_0
| 1
|
VASP
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DFT-rPBE
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Ca16Cl32H3N
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A32B16C3D
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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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NOP48Ti24
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NOP48Ti24
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A48B24CD
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data/MD/5202/MD_1086845055867124744315202.json
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PO_1005554896433450273752718
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| 2025-04-16T16:54:22
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DS_6dcul0b17524_0
| 1
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VASP
|
DFT-rPBE
| 5.186059
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1176480523906400033253622
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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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DS_6dcul0b17524_0
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DS_6dcul0b17524_0
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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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A72B24C4D2E
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T18:14:35
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DS_6dcul0b17524_0
| 1
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VASP
|
DFT-rPBE
| 0.48218
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3908552486306155846465842
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CH4N2ORh48Sn16
|
CH4N2ORh48Sn16
|
A48B16C4D2EF
|
[
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"N",
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"Rh",
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4941214994208890366335858
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| 2025-04-16T18:57:04
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| 0.747346
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_5511666597137862344640130
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[
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true
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HCr24NOS48V12
|
Cr24HNOS48V12
|
A48B24C12DEF
|
[
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[
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| 6
| 0
|
[
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[
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"ocp100k_142660",
"ocp100k_117717",
"ocp_all_502988",
"ocp_all_478045"
] | null |
data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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|
PO_4941332986472634498420528
|
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| 2025-04-16T17:30:41
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| -0.515016
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_3539659704576764541854833
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H2OV12W36
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H2OV12W36
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A36B12C2D
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PO_4941528946995168651976481
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| 2025-04-16T15:14:06
|
DS_6dcul0b17524_0
| 1
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VASP
|
DFT-rPBE
| 2.657528
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_2035354860054217829021908
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Cs8NO3
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Cs8NO3
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A8B3C
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PO_4944083849625482576191699
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| 2025-04-16T17:20:25
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1940172855044107163332609
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C2H4Cd48Na16O2
|
CCd24H2Na8O
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A24B8C2DE
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4944980197756167688500114
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| 2025-04-16T21:28:46
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
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DS_6dcul0b17524_0
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VASP
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DFT-rPBE
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DS_6dcul0b17524_0
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C2H3Cd48Cl96
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C2Cd48Cl96H3
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A96B48C3D2
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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_7930447920294136232561940
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HCa24N16
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Ca24HN16
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A24B16C
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| 2025-04-16T21:56:50
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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_1164220346670972531573619
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DS_6dcul0b17524_0
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C2H4OPd36W12
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C2H4OPd36W12
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A36B12C4D2E
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4943526063803411850353818
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| 2025-04-16T16:22:41
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DS_6dcul0b17524_0
| 1
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VASP
|
DFT-rPBE
| 1.692224
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1157944523421564580971958
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HOPt36Sb12
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HOPt36Sb12
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A36B12CD
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4943618533742929545561539
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| 2025-04-16T21:27:46
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| -2.817898
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_4969458024559497050902717
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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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CCa6HOPt12Y6
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DS_6dcul0b17524_0
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A24B24C
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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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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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A40B32CD
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T19:01:13
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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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CH2Ir48OV48
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CH2Ir48OV48
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A48B48C2DE
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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 |
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H2Ca32N34OV8
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Ca32H2N34OV8
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A34B32C8D2E
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4948053143682285338252220
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| 2025-04-16T18:24:30
|
DS_6dcul0b17524_0
| 1
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VASP
|
DFT-rPBE
| 2.290312
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1538112572722177773802699
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A16B16C16D
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DS_6dcul0b17524_0
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VASP
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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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A36B36C
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DS_6dcul0b17524_0
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HIr12Mn12Ti24
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A24B12C12D
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PO_4949248645378370392711552
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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_7460247713859129601022026
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C2H4Ga32O2Y32
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CGa16H2OY16
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A16B16C2DE
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[
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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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C2H3Ir16Ru48
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C2H3Ir16Ru48
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A48B16C3D2
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[
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[
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data/MD/5202/MD_1086845055867124744315202.json
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PO_4950744414306492928365429
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| 2025-04-16T16:08:11
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| 2.846285
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[] |
[] | null | null | null | null | null | null | null | null | null |
CO_6296495847470412596128040
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Cs30Ga18NO2Se42
|
Cs30Ga18NO2Se42
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A42B30C18D2E
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[
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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
| 1
|
VASP
|
DFT-rPBE
| -3.709587
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1690184404728454963619793
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C2H2Cr24OTc24V48
|
C2Cr24H2OTc24V48
|
A48B24C24D2E2F
|
[
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| 6
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4952023355620535673765183
|
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| 2025-04-16T17:35:49
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| -0.900615
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1080983288274558891939070
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A24B9C6D2EF
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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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C2Ca16H5In16Pd16
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A16B16C16D5E2
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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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CO_3702513946674955562257774
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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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VASP
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DFT-rPBE
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CH2Mn6Ni12OZn6
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A12B6C6D2EF
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DS_6dcul0b17524_0
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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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[] |
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data/MD/5202/MD_1086845055867124744315202.json
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| 2025-04-16T18:06:19
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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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DS_6dcul0b17524_0
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A36B24C12D3EF
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DS_6dcul0b17524_0
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VASP
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A32B16CD
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PO_4967857771704266387077607
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|
DS_6dcul0b17524_0
| 1
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VASP
|
DFT-rPBE
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[] |
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CO_2072658192037646907137714
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DS_6dcul0b17524_0
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HGa24Y40
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Ga24HY40
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A40B24C
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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PO_4961112825003210481411669
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| 2025-04-16T18:29:07
|
DS_6dcul0b17524_0
| 1
|
VASP
|
DFT-rPBE
| 1.024923
|
[] |
[] | null | null | null | null | null | null | null | null | null |
CO_1176735847694006980860453
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CIr18Zn54
|
CIr18Zn54
|
A54B18C
|
[
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[
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data/MD/5202/MD_1086845055867124744315202.json
| null | null | null |
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