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"created_at": "2022-09-04T14:41:57.570322Z",
"structure_string": "Al1 B3 N4\n1.0\n3.841048 0.000000 0.000000\n0.000000 3.841048 0.000000\n0.000000 0.000000 3.841048\nAl B N\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.731475 0.731475 0.268525 N\n0.731475 0.268525 0.731475 N\n0.268525 0.731475 0.731475 N\n0.268525 0.268525 0.268525 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"B",
"N"
],
"chemical_system": "Al-B-N",
"density": 3.382682590395833,
"density_atomic": 0.14116946986132686,
"volume": 56.669476820013095,
"volume_molar": 4.2658945775709505,
"formula_full": "Al1 B3 N4",
"formula_reduced": "AlB3N4",
"formula_anonymous": "AB3C4",
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.73659446,
"band_gap": 3.5993000000000004,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.580000Z",
"spacegroup": 215
},
{
"id": "mp-1217816",
"created_at": "2022-09-04T14:39:05.608910Z",
"structure_string": "Ta1 V1 H4\n1.0\n5.146468 -1.555168 0.000000\n5.146468 1.555168 0.000000\n4.676525 0.000000 2.652318\nTa V H\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 V\n0.619307 0.619307 0.619307 H\n0.129800 0.129800 0.129800 H\n0.870200 0.870200 0.870200 H\n0.380693 0.380693 0.380693 H\n",
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"nelements": 3,
"elements": [
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"V",
"H"
],
"chemical_system": "H-Ta-V",
"density": 9.227281694350733,
"density_atomic": 0.14132177188043732,
"volume": 42.456303230306155,
"volume_molar": 4.261297236702439,
"formula_full": "Ta1 V1 H4",
"formula_reduced": "TaVH4",
"formula_anonymous": "ABC4",
"energy": -36.10958316,
"energy_per_atom": -6.01826386,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -35.39358316,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:27.603000Z",
"spacegroup": 166
}
]
}