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"created_at": "2022-09-04T14:44:23.851099Z",
"structure_string": "U2 N3\n1.0\n1.846424 -3.198101 0.000000\n1.846424 3.198101 0.000000\n0.000000 0.000000 5.769516\nU N\n2 3\ndirect\n0.333333 0.666667 0.242270 U\n0.666667 0.333333 0.757730 U\n0.000000 0.000000 0.000000 N\n0.333333 0.666667 0.642524 N\n0.666667 0.333333 0.357476 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"U",
"N"
],
"chemical_system": "N-U",
"density": 12.625575738188516,
"density_atomic": 0.0733798829891144,
"volume": 68.13856599828225,
"volume_molar": 8.206800712524112,
"formula_full": "U2 N3",
"formula_reduced": "U2N3",
"formula_anonymous": "A2B3",
"energy": -55.57994119,
"energy_per_atom": -11.115988238,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.49694119,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9955951,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.237000Z",
"spacegroup": 164
}
]
}