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"formula_anonymous": "ABCDE6",
"energy": -78.78068881,
"energy_per_atom": -7.878068881,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.65868881,
"band_gap": 1.6993,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.703000Z",
"spacegroup": 216
},
{
"id": "mp-1218143",
"created_at": "2022-09-04T14:40:42.457681Z",
"structure_string": "Sr1 Nd1 Mn1 Co1 O6\n1.0\n0.000000 3.875289 3.875289\n3.875289 0.000000 3.875289\n3.875289 3.875289 0.000000\nSr Nd Mn Co O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nd\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Co\n0.506236 0.506236 0.993764 O\n0.993764 0.993764 0.506236 O\n0.993764 0.506236 0.506236 O\n0.506236 0.993764 0.993764 O\n0.506236 0.993764 0.506236 O\n0.993764 0.506236 0.993764 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-Nd-O-Sr",
"density": 6.301781723832221,
"density_atomic": 0.08591276916085565,
"volume": 116.39713278566151,
"volume_molar": 7.0095991769566455,
"formula_full": "Sr1 Nd1 Mn1 Co1 O6",
"formula_reduced": "SrNdMnCoO6",
"formula_anonymous": "ABCDE6",
"energy": -76.71427362,
"energy_per_atom": -7.671427362,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.28627362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.005922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.007000Z",
"spacegroup": 216
}
]
}