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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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[] |
[] | null | null | null | null | -128.48484
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| 2025-04-16T21:43:16
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DS_1ynp8v7d3er5_0
| 1
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VASP
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DFT-PBE
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[] |
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CCo7Cu14Fe19Mo8Ni16O
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CCo7Cu14Fe19Mo8Ni16O
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A19B16C14D8E7FG
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DFT-PBE
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DS_1ynp8v7d3er5_0
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DFT-PBE
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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CCo7Cu16Fe17Mo3Ni21O
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CCo7Cu16Fe17Mo3Ni21O
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A21B17C16D7E3FG
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DFT-PBE
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CCo7Cu18Fe22Mo5Ni12O
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DFT-PBE
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DFT-PBE
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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CCo10Cu14Fe17Mo4Ni19O
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CCo10Cu14Fe17Mo4Ni19O
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A19B17C14D10E4FG
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data/MD/0898/MD_2032095964501376705560898.json
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PO_1104421462697494298131642
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DFT-PBE
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DFT-PBE
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DFT-PBE
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DS_1ynp8v7d3er5_0
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PO_1141401247440749203712817
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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[] | null | null | null | null | -133.172886
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A15B13C12D12E12FG
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| 2025-04-16T21:43:25
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DS_1ynp8v7d3er5_0
| 1
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VASP
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DFT-PBE
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[] |
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CCo7Cu16Fe19Mo7Ni15O
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CCo7Cu16Fe19Mo7Ni15O
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A19B16C15D7E7FG
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PO_1152490286065558550275143
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| 2025-04-16T17:18:32
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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[] |
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DFT-PBE
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DS_1ynp8v7d3er5_0
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DFT-PBE
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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PO_1209300784395527716744681
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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[] |
[] | null | null | null | null | -149.556481
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| 2025-04-16T17:54:05
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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[] |
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CCo13Cu13Fe14Mo13Ni11O
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CCo13Cu13Fe14Mo13Ni11O
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A14B13C13D13E11FG
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PO_6626210429829713160986450
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| 2025-04-16T17:19:33
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DS_1ynp8v7d3er5_0
| 1
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VASP
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DFT-PBE
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[] |
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DFT-PBE
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DS_1ynp8v7d3er5_0
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DFT-PBE
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DS_1ynp8v7d3er5_0
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PO_1293978007601618994912264
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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| 2025-04-16T16:56:16
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DS_1ynp8v7d3er5_0
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VASP
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DFT-PBE
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[] |
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CCo14Cu16Fe9Mo17Ni8O
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CCo14Cu16Fe9Mo17Ni8O
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A17B16C14D9E8FG
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PO_1298594230025983174940994
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| 2025-04-16T21:29:37
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DS_1ynp8v7d3er5_0
| 1
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VASP
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DFT-PBE
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[] |
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DS_1ynp8v7d3er5_0
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[
true,
true,
true
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CCo13Cu13Fe12Mo13Ni13O
|
CCo13Cu13Fe12Mo13Ni13O
|
A13B13C13D13E12FG
|
[
"C",
"Co",
"Cu",
"Fe",
"Mo",
"Ni",
"O"
] |
[
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0.18181818181818182,
0.19696969696969696,
0.19696969696969696,
0.015151515151515152
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| 7
| 0
|
[
0,
0,
0
] |
[
"AGRA_CO_166"
] | null |
data/MD/0149/MD_9329459960225223167010149.json
|
data/MD/8933/MD_1083654742840816771738933.json
| null |
{"energy": -106.79480578611286, "id": "MD_1083654742840816771738933", "hash": "10836547428408167717389332243529058410502717581276632944427348508181823086121925992892161143132206290977695964647350391143105936894654411253508832109476309"}
|
{"input": {"ediff": {"value": 0.0001, "units": "eV"}, "ediffg": {"value": 0.02, "units": "eV/angstrom"}, "encut": {"value": 550, "units": "eV"}, "kpoints": "4 x 4 x 1", "kpoints-scheme": "Monkhorst-Pack"}, "hash": "932945996022522316701014904236947747212114716292279553703054989511932234835160747746736195781843807711221827414012148640702572281911852795733632260071725", "id": "MD_9329459960225223167010149"}
|
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