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{
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{
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.07643709,
"band_gap": 1.6036000000000006,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.964000Z",
"spacegroup": 216
},
{
"id": "mp-1517829",
"created_at": "2022-09-04T14:45:42.342999Z",
"structure_string": "Ba1 Na1 Nd1 Mn1 O6\n1.0\n-0.000000 -4.231177 -4.231177\n4.231177 0.000000 -4.231177\n4.231177 -4.231177 0.000000\nBa Na Nd Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Nd\n0.000000 -0.000000 -0.000000 Mn\n0.773863 0.226137 0.226137 O\n0.226137 0.773863 0.773863 O\n0.773863 0.226137 0.773863 O\n0.226137 0.773863 0.226137 O\n0.773863 0.773863 0.226137 O\n0.226137 0.226137 0.773863 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Na-Nd-O",
"density": 4.992492641836168,
"density_atomic": 0.06600645739655268,
"volume": 151.50032882271105,
"volume_molar": 9.12356305356651,
"formula_full": "Ba1 Na1 Nd1 Mn1 O6",
"formula_reduced": "BaNaNdMnO6",
"formula_anonymous": "ABCDE6",
"energy": -69.94983859000001,
"energy_per_atom": -6.994983859000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.15983859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.797000Z",
"spacegroup": 216
}
]
}