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{
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"id": "mp-1193032",
"created_at": "2022-09-04T14:40:36.903121Z",
"structure_string": "Y2 Br6 O20\n1.0\n6.854143 -0.687833 -0.135443\n-2.025130 9.999790 1.160978\n0.366138 1.478698 8.299357\nY Br O\n2 6 20\ndirect\n0.190158 0.231784 0.243358 Y\n0.809842 0.768216 0.756642 Y\n0.139099 0.711543 0.448084 Br\n0.860901 0.288457 0.551916 Br\n0.738417 0.419041 0.113498 Br\n0.261583 0.580959 0.886502 Br\n0.256271 0.039475 0.668577 Br\n0.743729 0.960525 0.331423 Br\n0.963498 0.155225 0.052012 O\n0.036502 0.844775 0.947988 O\n0.348923 0.145407 0.468420 O\n0.651077 0.854593 0.531580 O\n0.523298 0.272813 0.143268 O\n0.476702 0.727187 0.856732 O\n0.966613 0.311969 0.343887 O\n0.033387 0.688031 0.656113 O\n0.007382 0.993692 0.326874 O\n0.992618 0.006307 0.673126 O\n0.269348 0.457026 0.071568 O\n0.730652 0.542974 0.928432 O\n0.326184 0.385821 0.564305 O\n0.673816 0.614179 0.435695 O\n0.241571 0.810945 0.152119 O\n0.758429 0.189055 0.847881 O\n0.908766 0.251324 0.922824 O\n0.091234 0.748676 0.077176 O\n0.610612 0.651101 0.299238 O\n0.389388 0.348899 0.700762 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Y",
"Br",
"O"
],
"chemical_system": "Br-O-Y",
"density": 2.971360331306284,
"density_atomic": 0.05127082005478709,
"volume": 546.1196050712607,
"volume_molar": 11.745746905481221,
"formula_full": "Y2 Br6 O20",
"formula_reduced": "YBr3O10",
"formula_anonymous": "AB3C10",
"energy": -132.58886618,
"energy_per_atom": -4.735316649285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.58886618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.001235,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.092000Z",
"spacegroup": 2
}
]
}