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"created_at": "2022-09-04T14:45:42.668363Z",
"structure_string": "Ta1 V3 N4\n1.0\n4.220192 0.000000 0.000000\n0.000000 4.220192 0.000000\n0.000000 0.000000 4.220192\nTa V N\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"V",
"N"
],
"chemical_system": "N-Ta-V",
"density": 8.611789168456347,
"density_atomic": 0.10643717944365028,
"volume": 75.16170610510532,
"volume_molar": 5.657929674083695,
"formula_full": "Ta1 V3 N4",
"formula_reduced": "TaV3N4",
"formula_anonymous": "AB3C4",
"energy": -81.51502365,
"energy_per_atom": -10.18937795625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.07102365,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.006000Z",
"spacegroup": 221
}
]
}