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{
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{
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{
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{
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"structure_string": "H36 Br4 O16\n1.0\n11.305756 0.000000 0.000000\n0.000000 7.135856 0.000000\n0.000000 2.822248 7.199805\nH Br O\n36 4 16\ndirect\n0.669163 0.646446 0.999708 H\n0.750799 0.794924 0.808595 H\n0.734824 0.862958 0.997602 H\n0.169163 0.353554 0.000292 H\n0.250799 0.205076 0.191405 H\n0.234824 0.137042 0.002398 H\n0.806828 0.021142 0.142508 H\n0.662333 0.034220 0.121377 H\n0.306828 0.978858 0.857492 H\n0.162333 0.965780 0.878623 H\n0.744470 0.283641 0.866072 H\n0.843943 0.441414 0.778510 H\n0.343943 0.558586 0.221490 H\n0.244470 0.716359 0.133928 H\n0.754802 0.344060 0.577394 H\n0.690090 0.341632 0.389934 H\n0.254802 0.655940 0.422606 H\n0.190090 0.658368 0.610066 H\n0.850517 0.869572 0.552234 H\n0.769614 0.052115 0.552288 H\n0.350517 0.130428 0.447766 H\n0.269614 0.947885 0.447712 H\n0.568535 0.813226 0.359552 H\n0.667417 0.788916 0.517523 H\n0.531096 0.614081 0.590642 H\n0.031096 0.385919 0.409358 H\n0.167417 0.211084 0.482477 H\n0.068535 0.186774 0.640448 H\n0.458781 0.383296 0.701187 H\n0.378231 0.591751 0.639029 H\n0.958781 0.616704 0.298813 H\n0.878231 0.408249 0.360971 H\n0.492045 0.001467 0.038445 H\n0.499036 0.138484 0.161076 H\n0.992045 0.998533 0.961555 H\n0.999036 0.861516 0.838924 H\n0.480288 0.066775 0.718530 Br\n0.980288 0.933225 0.281470 Br\n0.535689 0.441649 0.179165 Br\n0.035689 0.558351 0.820835 Br\n0.739101 0.740098 0.952406 O\n0.239101 0.259902 0.047594 O\n0.738750 0.039629 0.054974 O\n0.238750 0.960371 0.945026 O\n0.762350 0.405450 0.756497 O\n0.262350 0.594550 0.243503 O\n0.762722 0.297117 0.467591 O\n0.262722 0.702883 0.532409 O\n0.775579 0.898966 0.602359 O\n0.275579 0.101034 0.397641 O\n0.608775 0.714993 0.469142 O\n0.108775 0.285007 0.530858 O\n0.458155 0.528054 0.690468 O\n0.958155 0.471946 0.309532 O\n0.510942 0.999161 0.164551 O\n0.010942 0.000839 0.835449 O\n",
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{
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{
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"formula_reduced": "Bi2(SO4)3",
"formula_anonymous": "A2B3C12",
"energy": -444.65252073,
"energy_per_atom": -6.539007657794118,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -411.67652073,
"band_gap": 4.2016,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.608000Z",
"spacegroup": 14
}
]
}