crystal-lab-data / dft /42 /result.json
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data: 5832 structures, 12 DFT jobs (part 2)
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{
"lab_id": 42,
"formula": "LaNd2(GeRh)4",
"name": "Germanorhodite",
"mace_e_hull": 0.001511962179201909,
"finished": 1794170693.0809813,
"vs": {
"Nd3(GeRh)4": 0.6667,
"La3(GeRh)4": 0.3333
},
"e_hull_dft": 0.0173,
"status": "pass"
}