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"updated_at": "2021-11-28T01:35:04.118000Z",
"spacegroup": 69
},
{
"id": "mp-14373",
"created_at": "2022-09-04T14:40:31.545250Z",
"structure_string": "Y6 B14 W2\n1.0\n1.736599 -8.008882 0.000000\n1.736599 8.008882 0.000000\n0.000000 0.000000 9.499726\nY B W\n6 14 2\ndirect\n0.893376 0.106624 0.939673 Y\n0.106624 0.893376 0.060327 Y\n0.756142 0.243858 0.250000 Y\n0.243858 0.756142 0.750000 Y\n0.893376 0.106624 0.560327 Y\n0.106624 0.893376 0.439673 Y\n0.543804 0.456196 0.250000 B\n0.456196 0.543804 0.750000 B\n0.519737 0.480263 0.907952 B\n0.480263 0.519737 0.092048 B\n0.480263 0.519737 0.407952 B\n0.519737 0.480263 0.592048 B\n0.634879 0.365121 0.852666 B\n0.365121 0.634879 0.147334 B\n0.727463 0.272537 0.967094 B\n0.272537 0.727463 0.032906 B\n0.272537 0.727463 0.467094 B\n0.727463 0.272537 0.532906 B\n0.634879 0.365121 0.647334 B\n0.365121 0.634879 0.352666 B\n0.053531 0.946469 0.750000 W\n0.946469 0.053531 0.250000 W\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"B",
"W"
],
"chemical_system": "B-W-Y",
"density": 6.613721987703905,
"density_atomic": 0.08325496919262763,
"volume": 264.24849127141516,
"volume_molar": 7.233370954791334,
"formula_full": "Y6 B14 W2",
"formula_reduced": "Y3B7W",
"formula_anonymous": "AB3C7",
"energy": -171.03172265,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"updated_at": "2021-11-28T01:34:52.808000Z",
"spacegroup": 63
},
{
"id": "mp-1207808",
"created_at": "2022-09-04T14:47:25.106800Z",
"structure_string": "Y12 B4 Br12\n1.0\n-5.632407 5.632407 5.632407\n5.632407 -5.632407 5.632407\n5.632407 5.632407 -5.632407\nY B Br\n12 4 12\ndirect\n0.459389 0.479694 0.229694 Y\n0.750000 0.229694 0.270306 Y\n0.750000 0.020306 0.479694 Y\n0.229694 0.459389 0.479694 Y\n0.270306 0.750000 0.229694 Y\n0.040611 0.270306 0.020306 Y\n0.020306 0.040611 0.270306 Y\n0.479694 0.750000 0.020306 Y\n0.479694 0.229694 0.459389 Y\n0.020306 0.479694 0.750000 Y\n0.270306 0.020306 0.040611 Y\n0.229694 0.270306 0.750000 Y\n0.250000 0.250000 0.250000 B\n0.500000 0.000000 0.250000 B\n0.000000 0.250000 0.500000 B\n0.250000 0.500000 0.000000 B\n0.250000 0.758196 0.741804 Br\n0.516393 0.508196 0.758196 Br\n0.983607 0.741804 0.991804 Br\n0.741804 0.250000 0.758196 Br\n0.991804 0.983607 0.741804 Br\n0.250000 0.991804 0.508196 Br\n0.758196 0.516393 0.508196 Br\n0.508196 0.250000 0.991804 Br\n0.758196 0.741804 0.250000 Br\n0.741804 0.991804 0.983607 Br\n0.991804 0.508196 0.250000 Br\n0.508196 0.758196 0.516393 Br\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"B",
"Br"
],
"chemical_system": "B-Br-Y",
"density": 4.806838972091586,
"density_atomic": 0.039175626577256956,
"volume": 714.7301127343076,
"volume_molar": 15.372161943916675,
"formula_full": "Y12 B4 Br12",
"formula_reduced": "Y3BBr3",
"formula_anonymous": "AB3C3",
"energy": -166.78697905,
"energy_per_atom": -5.956677823214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -160.37897905,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.563000Z",
"spacegroup": 214
}
]
}