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{
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{
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{
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"structure_string": "Ag8 B32 O52\n1.0\n7.898226 0.000000 0.000000\n0.001662 10.663953 0.000000\n0.001414 2.044047 11.864162\nAg B O\n8 32 52\ndirect\n0.915400 0.463992 0.862624 Ag\n0.914837 0.963908 0.637463 Ag\n0.617284 0.311647 0.609173 Ag\n0.610084 0.802107 0.928845 Ag\n0.389666 0.197690 0.072536 Ag\n0.389789 0.697689 0.428460 Ag\n0.085241 0.036165 0.362524 Ag\n0.085151 0.536153 0.137650 Ag\n0.995801 0.278254 0.340823 B\n0.995720 0.778279 0.159058 B\n0.862232 0.237359 0.585907 B\n0.875314 0.434727 0.405242 B\n0.862089 0.737718 0.914006 B\n0.760700 0.110808 0.081759 B\n0.875336 0.934746 0.094755 B\n0.703065 0.041794 0.510347 B\n0.760768 0.611001 0.418480 B\n0.672861 0.304967 0.051030 B\n0.703274 0.541761 0.989753 B\n0.602711 0.102225 0.893132 B\n0.672787 0.805024 0.449691 B\n0.602815 0.603585 0.606902 B\n0.558450 0.451778 0.186424 B\n0.441557 0.048175 0.685789 B\n0.558539 0.952067 0.313985 B\n0.441453 0.547991 0.814020 B\n0.397236 0.396675 0.393171 B\n0.327440 0.195590 0.549659 B\n0.397194 0.897079 0.107022 B\n0.296718 0.458381 0.010631 B\n0.327201 0.695370 0.949898 B\n0.239466 0.389258 0.581503 B\n0.296745 0.958511 0.489398 B\n0.124704 0.065268 0.905226 B\n0.239346 0.889303 0.918486 B\n0.137961 0.262328 0.085929 B\n0.124692 0.565212 0.594711 B\n0.138006 0.762379 0.414070 B\n0.004358 0.221723 0.841000 B\n0.004295 0.721787 0.659050 B\n0.941765 0.199604 0.463120 O\n0.963381 0.397535 0.311699 O\n0.915859 0.255751 0.755811 O\n0.846362 0.050551 0.140211 O\n0.941638 0.699663 0.036763 O\n0.963470 0.897595 0.188151 O\n0.915785 0.755727 0.744220 O\n0.829297 0.361942 0.536703 O\n0.846279 0.550404 0.359715 O\n0.756812 0.144960 0.598263 O\n0.755637 0.233312 0.121898 O\n0.828807 0.861862 0.963696 O\n0.677425 0.039790 0.980140 O\n0.733764 0.423844 0.972522 O\n0.756430 0.645144 0.902196 O\n0.755562 0.733283 0.378038 O\n0.611697 0.055370 0.407368 O\n0.677690 0.540505 0.520819 O\n0.733865 0.924062 0.526908 O\n0.602341 0.228841 0.915841 O\n0.592122 0.336162 0.179517 O\n0.611874 0.555394 0.092944 O\n0.529919 0.024283 0.787616 O\n0.601888 0.729492 0.583740 O\n0.592320 0.836300 0.319455 O\n0.530229 0.524743 0.712606 O\n0.470091 0.475238 0.287835 O\n0.407705 0.163741 0.680531 O\n0.397188 0.270572 0.415605 O\n0.470048 0.975415 0.212282 O\n0.388398 0.444658 0.907566 O\n0.407660 0.663643 0.819535 O\n0.397949 0.770871 0.083606 O\n0.266026 0.076054 0.473128 O\n0.322747 0.460188 0.480054 O\n0.388387 0.944732 0.592317 O\n0.244467 0.266877 0.621975 O\n0.243563 0.354854 0.097624 O\n0.266087 0.576140 0.026925 O\n0.322481 0.960057 0.020318 O\n0.171123 0.138114 0.036291 O\n0.244425 0.766764 0.878116 O\n0.243604 0.854757 0.402230 O\n0.153635 0.449557 0.640217 O\n0.171104 0.638110 0.463623 O\n0.084200 0.244295 0.255729 O\n0.036516 0.102404 0.811828 O\n0.058296 0.300337 0.963258 O\n0.153647 0.949472 0.859762 O\n0.084183 0.744246 0.244231 O\n0.036529 0.602442 0.688149 O\n0.058312 0.800337 0.536755 O\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 3.3913985190782046,
"density_atomic": 0.0920667855633579,
"volume": 999.27459655565,
"volume_molar": 6.541056824293842,
"formula_full": "Ag8 B32 O52",
"formula_reduced": "Ag2B8O13",
"formula_anonymous": "A2B8C13",
"energy": -611.00414264,
"energy_per_atom": -6.64134937652174,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -575.28014264,
"band_gap": 0.4140999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.585000Z",
"spacegroup": 1
}
]
}