crystal-lab-data / dft /3897 /result.json
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data: 5907 structures, 14 DFT jobs
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{
"lab_id": 3897,
"formula": "Li2Sc2CuSn2Rh",
"name": "Scandostannite",
"mace_e_hull": 0.011661619033366932,
"finished": 1794559296.1655726,
"vs": {
"LiScSnRh": 0.3,
"ScCuSn": 0.375,
"Li7Sn2": 0.225,
"ScRh": 0.1
},
"e_hull_dft": -0.0129,
"status": "pass"
}