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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.23650275,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.6654315,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.069000Z",
"spacegroup": 139
},
{
"id": "mp-761034",
"created_at": "2022-09-04T14:44:09.754599Z",
"structure_string": "Hf5 N5 O2\n1.0\n1.534571 5.179776 0.000000\n-1.534571 5.179776 0.000000\n0.000000 2.499507 8.822701\nHf N O\n5 5 2\ndirect\n0.109329 0.109329 0.079970 Hf\n0.698488 0.698488 0.700420 Hf\n0.306353 0.306353 0.297894 Hf\n0.887789 0.887789 0.918569 Hf\n0.989441 0.989441 0.493743 Hf\n0.508353 0.508353 0.985365 N\n0.740416 0.740416 0.143910 N\n0.266041 0.266041 0.847983 N\n0.338159 0.338159 0.553021 N\n0.954939 0.954939 0.283635 N\n0.045647 0.045647 0.705380 O\n0.653781 0.653781 0.448179 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 11.773799413250002,
"density_atomic": 0.08555624654689137,
"volume": 140.25860745799645,
"volume_molar": 7.038808974280337,
"formula_full": "Hf5 N5 O2",
"formula_reduced": "Hf5N5O2",
"formula_anonymous": "A2B5C5",
"energy": -129.69435041,
"energy_per_atom": -10.807862534166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.51535041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0089658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.519000Z",
"spacegroup": 8
}
]
}