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{
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{
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{
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{
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{
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"is_magnetic": true,
"total_magnetization": 2.204314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.187000Z",
"spacegroup": 166
},
{
"id": "mp-1247209",
"created_at": "2022-09-04T14:41:06.926055Z",
"structure_string": "Ta6 Mn2 N12\n1.0\n5.001103 0.000000 0.034407\n0.000000 7.586292 0.000000\n0.031330 0.000000 5.506323\nTa Mn N\n6 2 12\ndirect\n0.049953 0.250000 0.928985 Ta\n0.950047 0.750000 0.071015 Ta\n0.477761 0.250000 0.407182 Ta\n0.522239 0.750000 0.592818 Ta\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.841853 0.250000 0.573632 N\n0.158147 0.750000 0.426368 N\n0.671077 0.250000 0.064738 N\n0.328923 0.750000 0.935262 N\n0.189102 0.419716 0.183680 N\n0.810898 0.919716 0.816320 N\n0.810898 0.580284 0.816320 N\n0.189102 0.080284 0.183680 N\n0.330317 0.423600 0.689146 N\n0.669683 0.923600 0.310854 N\n0.669683 0.576400 0.310854 N\n0.330317 0.076400 0.689146 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"N"
],
"chemical_system": "Mn-N-Ta",
"density": 10.839518566931984,
"density_atomic": 0.09573923635973675,
"volume": 208.90076796571384,
"volume_molar": 6.290149147808139,
"formula_full": "Ta6 Mn2 N12",
"formula_reduced": "Ta3MnN6",
"formula_anonymous": "AB3C6",
"energy": -207.98098128,
"energy_per_atom": -10.399049064,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -203.64898128,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.360856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.437000Z",
"spacegroup": 11
}
]
}