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{
"id": "mp-755911",
"created_at": "2022-09-04T14:40:23.296305Z",
"structure_string": "Hf8 N8 O4\n1.0\n3.095564 0.000000 0.000000\n0.000000 8.419538 0.000000\n0.000000 0.000000 8.482212\nHf N O\n8 8 4\ndirect\n0.250000 0.178674 0.003909 Hf\n0.250000 0.501435 0.181508 Hf\n0.750000 0.001435 0.318492 Hf\n0.750000 0.678674 0.496091 Hf\n0.250000 0.321326 0.503909 Hf\n0.250000 0.998565 0.681508 Hf\n0.750000 0.498565 0.818492 Hf\n0.750000 0.821326 0.996091 Hf\n0.750000 0.366515 0.047242 N\n0.250000 0.944958 0.124787 N\n0.750000 0.444958 0.375213 N\n0.250000 0.866515 0.452758 N\n0.750000 0.133485 0.547242 N\n0.250000 0.555042 0.624787 N\n0.750000 0.055042 0.875213 N\n0.250000 0.633485 0.952758 N\n0.750000 0.690044 0.225228 O\n0.250000 0.190044 0.274772 O\n0.750000 0.809956 0.725228 O\n0.250000 0.309956 0.774772 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 12.047820600481916,
"density_atomic": 0.09046754895898733,
"volume": 221.07374666541287,
"volume_molar": 6.656686103798485,
"formula_full": "Hf8 N8 O4",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy": -214.6571059,
"energy_per_atom": -10.732855295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -209.0211059,
"band_gap": 0.0863000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.380000Z",
"spacegroup": 62
}
]
}