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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.415000Z",
"spacegroup": 141
},
{
"id": "mp-1215248",
"created_at": "2022-09-04T14:43:57.374094Z",
"structure_string": "Zr1 U1 N2\n1.0\n5.618272 -1.670547 0.000000\n5.618272 1.670547 0.000000\n5.121548 0.000000 2.850517\nZr U N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 U\n0.246695 0.246695 0.246695 N\n0.753305 0.753305 0.753305 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"U",
"N"
],
"chemical_system": "N-U-Zr",
"density": 11.087306947039403,
"density_atomic": 0.07475580119208128,
"volume": 53.50755307567637,
"volume_molar": 8.055750408622352,
"formula_full": "Zr1 U1 N2",
"formula_reduced": "ZrUN2",
"formula_anonymous": "ABC2",
"energy": -43.364929270000005,
"energy_per_atom": -10.841232317500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.64292927,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6525573,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.496000Z",
"spacegroup": 166
}
]
}