crystal-lab-data / dft /1501 /result.json
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data: 5402 structures, 8 DFT jobs
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{
"lab_id": 1501,
"formula": "Mg3Ni3GeP2",
"name": null,
"mace_e_hull": null,
"finished": 1793258949.3239908,
"vs": {
"Mg3P2": 0.2941,
"Mg4Ni7Ge6": 0.2222,
"NiGe": 0.0654,
"MgNi2P": 0.4183
},
"e_hull_dft": 0.1004,
"status": "fail"
}