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DS_jhfis7syauhm_0
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| 2025-04-16T18:44:20
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DS_jhfis7syauhm_0
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VASP 5.4.4
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DS_jhfis7syauhm_0
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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DS_jhfis7syauhm_0
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DS_jhfis7syauhm_0
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N28Rh4
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N7Rh
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A7B
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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Au3CuF2IrKMgMnMoPbPdPtSSn
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A3B2CDEFGHIJKLM
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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| 2025-04-16T16:26:23
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DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_8408953397681948977686160
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AlAuCCoCrHMoN2OPdPtRhSc2Ti
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| 14
| 3
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1002932966982270007282574
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| 2025-04-16T18:41:56
|
DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
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AgAu2CCaCl2CoCrFe2H2KMgN2O2Pb3PdPt2RuSScSnZn3
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DS_jhfis7syauhm_0
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Cu8O8
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CuO
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AB
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DS_jhfis7syauhm_0
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1003086998685982033178202
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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DS_jhfis7syauhm_0
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DS_jhfis7syauhm_0
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DS_jhfis7syauhm_0
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DS_jhfis7syauhm_0
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DS_jhfis7syauhm_0
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AlAuCa2ClCoInKMnNaNiPtRu2SiZn
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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Cl4Sc28
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ClSc7
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A7B
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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Cu8Mo8Pd8V8
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CuMoPdV
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ABCD
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_4936771909657560314721428
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DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 6.927832
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CO_7286126187482494234596049
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Au2CaCrFMgPdSi
|
Au2CaCrFMgPdSi
|
A2BCDEFG
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[
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Ca32
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Ca28P4
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Ca7P
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A7B
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DS_jhfis7syauhm_0
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Cr16Fe16
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DS_jhfis7syauhm_0
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Co16K16
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CoK
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AB
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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HAuClCuIr2PPd
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AuClCuHIr2PPd
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A2BCDEFG
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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Li8N8P8Si8
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LiNPSi
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ABCD
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1004382998722395392211745
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| 2025-04-16T18:57:08
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DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
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CaFMnNaOPdScTi
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CaFMnNaOPdScTi
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ABCDEFGH
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_1075280024177043054775900
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C16Ni16
|
CNi
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AB
|
[
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[
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1004550510001592818757798
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| 2025-04-16T18:46:02
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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CAlCrMgMoNPbPt
|
AlCCrMgMoNPbPt
|
ABCDEFGH
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[
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1
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[
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PO_1004729636966626860631295
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DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_3908313476445894623908096
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true
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Fe8Mo8Pt8S8
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FeMoPtS
|
ABCD
|
[
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| 4
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1004746154896446735496073
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| 2025-04-16T17:11:09
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DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
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CO_2923057123989165785710454
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CAg2AlAuCa3Cl2Co2F2InIrK3MoNa2Ni3P2RhRuScSiV
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Ag2AlAuCCa3Cl2Co2F2InIrK3MoNa2Ni3P2RhRuScSiV
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A3B3C3D2E2F2G2H2I2JKLMNOPQRST
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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ClCoMnRh
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DS_jhfis7syauhm_0
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VASP 5.4.4
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Fe10O20
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FeO2
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A2B
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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AgAlAuCaKLiMnMoN2OPbPdRuScV
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A2BCDEFGHIJKLMNO
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DS_jhfis7syauhm_0
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F8In8Pb8Pt8
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FInPbPt
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ABCD
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| 2025-04-16T16:49:41
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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C4Mn28
|
CMn7
|
A7B
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[
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| 2
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1004937538471639307478178
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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CuHLiNPScV2
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A2BCDEFG
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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Ca16F16
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AB
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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HFInKNiPbPdRh
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FHInKNiPbPdRh
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ABCDEFGH
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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C2H2Au2Ca2Cr2Cu2F2In2K2Ni2O2Pt2Sc4Si2Ti2
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AuCCaCrCuFHInKNiOPtSc2SiTi
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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DS_jhfis7syauhm_0
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DS_jhfis7syauhm_0
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DS_jhfis7syauhm_0
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CAg2AlAu2Cl3CrCuF2K3MgMnMoN2PPd2RuSc2SnTiV2Zn
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Ag2AlAu2CCl3CrCuF2K3MgMnMoN2PPd2RuSc2SnTiV2Zn
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A3B3C2D2E2F2G2H2I2JKLMNOPQRSTU
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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CO_5207727742237095754795577
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Rh16V16
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RhV
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AB
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1005424526708327260371032
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| 2025-04-16T15:14:06
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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CO_6411770692739997450513812
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Cr8Ir8Na8P8
|
CrIrNaP
|
ABCD
|
[
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[
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| 4
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_1005499571915202996208967
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| 2025-04-16T18:04:10
|
DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
|
DFT-PBE
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[] | null | null | null | null | null | null | 6.147048
| 2.69982
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CO_1172617160507413196396222
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true
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CuFFeNiOSiSnTi
|
CuFFeNiOSiSnTi
|
ABCDEFGH
|
[
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[
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50,
22
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| 8
| 3
|
[
1,
1,
1
] |
[
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] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_1005516210977726638148774
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| 2025-04-16T20:11:35
|
DS_jhfis7syauhm_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -45.145292
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AlCCaCrCu2InIrLi3MnMo2NNaNiPPbPdPtRh2Ru2Si2Sn2TiVZn
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A3B2C2D2E2F2G2HIJKLMNOPQRSTUVWX
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DS_jhfis7syauhm_0
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AB
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DS_jhfis7syauhm_0
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BaCa2Cr3F2In2Ir2KMn4MoNNaNiOPbPdRu3Sc2TiVZn
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
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BaCuMgNaPPtSTi
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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Ba16N16
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BaN
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AB
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T21:37:17
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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CuFMoPbRhRuSiSn
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CuFMoPbRhRuSiSn
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ABCDEFGH
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data/MD/4357/MD_1024398629573454165794357.json
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| 2025-04-16T17:26:48
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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K16Mn16
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KMn
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AB
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1003611533722880818212842
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DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
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H8Cr8Ru8Sc8
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CrHRuSc
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ABCD
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1003796434805279568481869
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| 2025-04-16T18:38:16
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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H2AgCl2CoCrFeIrMnPPtRuSiTiV
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AgCl2CoCrFeH2IrMnPPtRuSiTiV
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A2B2CDEFGHIJKLMN
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data/MD/4357/MD_1024398629573454165794357.json
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PO_1003850472270593579406093
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| 2025-04-16T15:45:01
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DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 6.355553
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CO_3136342913456959156805164
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Fe8Mo8P8V8
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FeMoPV
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ABCD
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_1004187128518911540746115
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| 2025-04-16T16:07:11
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DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
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DS_jhfis7syauhm_0
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Ag28Ni4
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DS_jhfis7syauhm_0
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CAlBaCl2CoCuSc
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AlBaCCl2CoCuSc
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A2BCDEFG
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DS_jhfis7syauhm_0
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VASP 5.4.4
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Li32
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
| -127.989155
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[] | null | null | null | null | null | null | 4.409472
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CO_1026867753556977372276317
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true
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Si16Sn16
|
SiSn
|
AB
|
[
"Si",
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[
0.5,
0.5
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14,
14,
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14,
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14,
14
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| 2
| 3
|
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1,
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1
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[
"hme21_train_12398"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_4960068000857960142993416
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| 2025-04-16T20:41:25
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DS_jhfis7syauhm_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -27.281783
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[
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[] | null | null | null | null | null | null | 7.788668
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CO_4675032227077362747945337
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[
true,
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true
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CoIrNa2PbRuSSc
|
CoIrNa2PbRuSSc
|
A2BCDEFG
|
[
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"Na",
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"S",
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[
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[
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| 7
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_4960251435229715043026561
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| 2025-04-16T19:01:13
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DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
| -153.633728
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[] | null | null | null | null | null | null | 5.845644
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CO_9700630176908554098422818
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[
true,
true,
true
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Pt4Si28
|
PtSi7
|
A7B
|
[
"Pt",
"Si"
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[
0.125,
0.875
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[
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14,
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14,
78,
78,
78,
78
] | 32
| 2
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_4951367826943951959809926
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| 2025-04-16T18:30:27
|
DS_jhfis7syauhm_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -158.88117
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[
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[
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] |
[] | null | null | null | null | null | null | 9.404044
| 2.275925
| null |
CO_8174834786493873228037299
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[
true,
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true
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C8F8Mg8Ru8
|
CFMgRu
|
ABCD
|
[
"C",
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[
0.25,
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9,
9,
44,
44,
44,
44,
44,
44,
44,
44
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| 4
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_4966411553803690935698289
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| 2025-04-16T21:22:14
|
DS_jhfis7syauhm_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -22.565542
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[] | null | null | null | null | null | null | 4.841877
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CO_1129377534847254813118238
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[
true,
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true
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HClCuKMnSi2V
|
ClCuHKMnSi2V
|
A2BCDEFG
|
[
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23
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| 7
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_4966099106344761784810129
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| 2025-04-16T18:41:25
|
DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
|
DFT-PBE
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[] | null | null | null | null | null | null | 8.057447
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CO_1117280444202957239200828
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[
true,
true,
true
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F8Mg8Pt8Si8
|
FMgPtSi
|
ABCD
|
[
"F",
"Mg",
"Pt",
"Si"
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[
0.25,
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0.25
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[
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14,
14,
14,
14,
12,
12,
12,
12,
12,
12,
12,
12
] | 32
| 4
| 3
|
[
1,
1,
1
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[
"hme21_train_11125"
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_4966231091706856334302024
|
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| 2025-04-16T17:28:31
|
DS_jhfis7syauhm_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -117.416672
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[] | null | null | null | null | null | null | 8.239048
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CO_6308685580790689478308074
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true
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AgBaCaClCrCu2F2Fe2In2KLiMgMo2NNaRh2Ru2SScSi2Sn2TiZn
|
AgBaCaClCrCu2F2Fe2In2KLiMgMo2NNaRh2Ru2SScSi2Sn2TiZn
|
A2B2C2D2E2F2G2H2I2JKLMNOPQRSTUVW
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[
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DS_jhfis7syauhm_0
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DS_jhfis7syauhm_0
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true
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Rh16S16
|
RhS
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AB
|
[
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[
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| 2
| 3
|
[
1,
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1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_4962354049555995008570801
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| 2025-04-17T17:35:57
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DS_jhfis7syauhm_0
| 1
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VASP 5.4.4
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DFT-PBE
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[] | null | null | null | null | null | null | 7.539348
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CO_6045131343230349106657687
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[
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Ru32
|
Ru
|
A
|
[
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[
1
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| 1
| 3
|
[
1,
1,
1
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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PO_4957358132536867767306145
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| 2025-04-16T21:37:22
|
DS_jhfis7syauhm_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -16.998815
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[
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[
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[] | null | null | null | null | null | null | 7.299168
| 3.070773
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CO_7682883915723686245823929
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[
true,
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true
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AgAlAuCoMgORuZn
|
AgAlAuCoMgORuZn
|
ABCDEFGH
|
[
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[
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[
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30
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| 8
| 3
|
[
1,
1,
1
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[
"hme21_train_4890"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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|
PO_4957709801633715004652142
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4957709801633715004652142304159306179140152621742072439884451364326940072882640236489006643153806081991419798608582403965236466465272382521425992674959545
| 2025-04-16T17:03:14
|
DS_jhfis7syauhm_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -125.532582
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[
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[
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[] | null | null | null | null | null | null | 6.224892
| 1.851173
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CO_1037033593875975447207802
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[
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[
true,
true,
true
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Cu8Mn8Ru8Zn8
|
CuMnRuZn
|
ABCD
|
[
"Cu",
"Mn",
"Ru",
"Zn"
] |
[
0.25,
0.25,
0.25,
0.25
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[
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29,
29,
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44,
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30,
30,
30,
30,
30,
30,
30,
30,
25,
25,
25,
25,
25,
25,
25,
25
] | 32
| 4
| 3
|
[
1,
1,
1
] |
[
"hme21_train_5288"
] | null |
data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
{"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"}
|
PO_4958617696228246660655456
|
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| 2025-04-16T20:42:07
|
DS_jhfis7syauhm_0
| 1
|
VASP 5.4.4
|
DFT-PBE
| -136.191569
|
[
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DS_jhfis7syauhm_0
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Ag2Ba3C2Ca2Co2Cr4FHMg2Ni2OPPbPdSSiSnTi2V2
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A4B3C2D2E2F2G2H2I2J2KLMNOPQRS
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[
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data/MD/4357/MD_1024398629573454165794357.json
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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Ag2AuBaCClCoCuFeInIrLiMg3Mn2Ni2PbRhScSi3Sn3VZn3
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A3B3C3D3E2F2G2HIJKLMNOPQRSTU
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[
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data/MD/4357/MD_1024398629573454165794357.json
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PO_4963430752117943378351576
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DS_jhfis7syauhm_0
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VASP 5.4.4
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DFT-PBE
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Ag32
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[
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data/MD/4357/MD_1024398629573454165794357.json
| null | null | null |
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