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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.40866409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.9840447,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.156000Z",
"spacegroup": 62
},
{
"id": "mp-1079374",
"created_at": "2022-09-04T14:45:16.961970Z",
"structure_string": "Th2 Ta2 N6\n1.0\n1.617486 -5.280827 0.000000\n1.617486 5.280827 0.000000\n0.000000 0.000000 7.685094\nTh Ta N\n2 2 6\ndirect\n0.738008 0.261992 0.250000 Th\n0.261992 0.738008 0.750000 Th\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.071757 0.928243 0.250000 N\n0.928243 0.071757 0.750000 N\n0.370825 0.629175 0.443672 N\n0.629175 0.370825 0.556328 N\n0.370825 0.629175 0.056328 N\n0.629175 0.370825 0.943672 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Th",
"Ta",
"N"
],
"chemical_system": "N-Ta-Th",
"density": 11.509980946617048,
"density_atomic": 0.07616901682162242,
"volume": 131.28697753075446,
"volume_molar": 7.906286586451606,
"formula_full": "Th2 Ta2 N6",
"formula_reduced": "ThTaN3",
"formula_anonymous": "ABC3",
"energy": -104.02600303,
"energy_per_atom": -10.402600303,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.86000303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.019000Z",
"spacegroup": 63
}
]
}