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"id": "mp-1245552",
"created_at": "2022-09-04T14:44:11.568202Z",
"structure_string": "Ti4 Fe4 N8\n1.0\n5.783478 0.000000 0.000000\n0.000000 6.874873 0.000000\n0.000000 0.000000 4.115261\nTi Fe N\n4 4 8\ndirect\n0.614650 0.377985 0.935248 Ti\n0.385350 0.622015 0.435248 Ti\n0.885350 0.877985 0.435248 Ti\n0.114650 0.122015 0.935248 Ti\n0.563565 0.844061 0.935252 Fe\n0.436435 0.155939 0.435252 Fe\n0.936435 0.344061 0.435252 Fe\n0.063565 0.655939 0.935252 Fe\n0.606717 0.394065 0.435249 N\n0.393283 0.605935 0.935249 N\n0.893283 0.894065 0.935249 N\n0.106717 0.105935 0.435249 N\n0.539994 0.881645 0.435251 N\n0.460006 0.118355 0.935251 N\n0.960006 0.381645 0.935251 N\n0.039994 0.618355 0.435251 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"N"
],
"chemical_system": "Fe-N-Ti",
"density": 5.3472127365477355,
"density_atomic": 0.09778423230230002,
"volume": 163.62556235586112,
"volume_molar": 6.158601052757206,
"formula_full": "Ti4 Fe4 N8",
"formula_reduced": "TiFeN2",
"formula_anonymous": "ABC2",
"energy": -147.34519057,
"energy_per_atom": -9.209074410625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.45719057,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2072425,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.167000Z",
"spacegroup": 62
}
]
}