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{
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{
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{
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{
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{
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{
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{
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{
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"id": "mp-1194250",
"created_at": "2022-09-04T14:45:58.112328Z",
"structure_string": "Nb12 Cr12 N4\n1.0\n0.000000 5.751123 5.751123\n5.751123 0.000000 5.751123\n5.751123 5.751123 0.000000\nNb Cr N\n12 12 4\ndirect\n0.806779 0.806779 0.193221 Nb\n0.193221 0.193221 0.806779 Nb\n0.806779 0.193221 0.806779 Nb\n0.193221 0.806779 0.193221 Nb\n0.193221 0.806779 0.806779 Nb\n0.806779 0.193221 0.193221 Nb\n0.443221 0.443221 0.056779 Nb\n0.056779 0.056779 0.443221 Nb\n0.443221 0.056779 0.443221 Nb\n0.056779 0.443221 0.056779 Nb\n0.056779 0.443221 0.443221 Nb\n0.443221 0.056779 0.056779 Nb\n0.125000 0.625000 0.625000 Cr\n0.625000 0.125000 0.625000 Cr\n0.625000 0.625000 0.125000 Cr\n0.625000 0.625000 0.625000 Cr\n0.734418 0.421861 0.421861 Cr\n0.421861 0.734418 0.421861 Cr\n0.421861 0.421861 0.734418 Cr\n0.421861 0.421861 0.421861 Cr\n0.515582 0.828139 0.828139 Cr\n0.828139 0.515582 0.828139 Cr\n0.828139 0.828139 0.515582 Cr\n0.828139 0.828139 0.828139 Cr\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"N"
],
"chemical_system": "Cr-N-Nb",
"density": 7.834131920712316,
"density_atomic": 0.07359868717903512,
"volume": 380.4415686367829,
"volume_molar": 8.182402418878244,
"formula_full": "Nb12 Cr12 N4",
"formula_reduced": "Nb3Cr3N",
"formula_anonymous": "AB3C3",
"energy": -282.26326214,
"energy_per_atom": -10.080830790714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.81926214,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0192351,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.676000Z",
"spacegroup": 227
}
]
}