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{
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"formula_full": "Ba1 Ca1 Ni1 Bi1 O6",
"formula_reduced": "BaCaNiBiO6",
"formula_anonymous": "ABCDE6",
"energy": -62.18458478,
"energy_per_atom": -6.2184584780000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.52158478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.809000Z",
"spacegroup": 216
},
{
"id": "mp-1049220",
"created_at": "2022-09-04T14:46:13.306570Z",
"structure_string": "La2 Zn2 Cr2 Co2 O12\n1.0\n5.330056 0.000000 0.000000\n0.000000 5.325466 0.000000\n0.000000 5.293025 7.857025\nLa Zn Cr Co O\n2 2 2 2 12\ndirect\n0.283990 0.752846 0.248915 La\n0.716010 0.752846 0.748915 La\n0.783079 0.243353 0.247376 Zn\n0.216921 0.243353 0.747376 Zn\n0.237371 0.996106 0.495543 Cr\n0.762629 0.996106 0.995543 Cr\n0.249129 0.490404 0.001955 Co\n0.750871 0.490404 0.501955 Co\n0.806856 0.316891 0.754248 O\n0.016841 0.161680 0.054409 O\n0.024598 0.767311 0.453824 O\n0.548748 0.259056 0.055559 O\n0.547268 0.884264 0.442599 O\n0.270802 0.628083 0.745573 O\n0.193144 0.316891 0.254248 O\n0.983159 0.161680 0.554409 O\n0.975402 0.767311 0.953824 O\n0.451252 0.259056 0.555559 O\n0.452732 0.884264 0.942599 O\n0.729198 0.628083 0.245573 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Zn",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-La-O-Zn",
"density": 6.123885959780015,
"density_atomic": 0.08967728932977037,
"volume": 223.02190609769642,
"volume_molar": 6.715346555419151,
"formula_full": "La2 Zn2 Cr2 Co2 O12",
"formula_reduced": "LaZnCrCoO6",
"formula_anonymous": "ABCDE6",
"energy": -148.5106797,
"energy_per_atom": -7.4255339849999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.9926797,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9967259,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.277000Z",
"spacegroup": 7
}
]
}