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{
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},
{
"id": "mp-556106",
"created_at": "2022-09-04T14:42:54.886898Z",
"structure_string": "Sr8 B16 F64\n1.0\n9.319231 0.000000 0.000000\n0.000000 9.764662 0.000000\n0.000000 0.000000 13.997927\nSr B F\n8 16 64\ndirect\n0.280259 0.465188 0.396530 Sr\n0.780259 0.534812 0.103470 Sr\n0.219741 0.965188 0.603470 Sr\n0.719741 0.034812 0.896530 Sr\n0.280259 0.965188 0.103470 Sr\n0.780259 0.034812 0.396530 Sr\n0.219741 0.465188 0.896530 Sr\n0.719741 0.534812 0.603470 Sr\n0.004964 0.777146 0.939989 B\n0.495036 0.777146 0.439989 B\n0.504964 0.722854 0.939989 B\n0.816978 0.896794 0.656788 B\n0.504964 0.222854 0.560011 B\n0.316978 0.603206 0.656788 B\n0.995036 0.722854 0.439989 B\n0.316978 0.103206 0.843212 B\n0.004964 0.277146 0.560011 B\n0.183022 0.603206 0.156788 B\n0.183022 0.103206 0.343212 B\n0.683022 0.896794 0.156788 B\n0.495036 0.277146 0.060011 B\n0.995036 0.222854 0.060011 B\n0.816978 0.396794 0.843212 B\n0.683022 0.396794 0.343212 B\n0.103885 0.202810 0.616303 F\n0.908261 0.182455 0.517126 F\n0.532365 0.915204 0.163348 F\n0.591739 0.182455 0.017126 F\n0.922496 0.649709 0.512794 F\n0.252624 0.512779 0.220748 F\n0.603885 0.797190 0.883697 F\n0.077504 0.350291 0.487206 F\n0.728367 0.924130 0.061966 F\n0.103885 0.702810 0.883697 F\n0.091739 0.317545 0.017126 F\n0.896115 0.297190 0.116303 F\n0.922496 0.149709 0.987206 F\n0.408261 0.817545 0.982874 F\n0.228367 0.575870 0.061966 F\n0.422496 0.350291 0.987206 F\n0.967635 0.415204 0.836652 F\n0.219507 0.739921 0.180725 F\n0.719507 0.760079 0.180725 F\n0.719507 0.260079 0.319275 F\n0.280493 0.739921 0.680725 F\n0.747376 0.487221 0.779252 F\n0.747376 0.987221 0.720748 F\n0.032365 0.584796 0.163348 F\n0.780493 0.760079 0.680725 F\n0.408261 0.317545 0.517126 F\n0.072677 0.629783 0.382431 F\n0.219507 0.239921 0.319275 F\n0.771633 0.424130 0.938034 F\n0.280493 0.239921 0.819275 F\n0.077504 0.850291 0.012794 F\n0.927323 0.370217 0.617569 F\n0.577504 0.149709 0.487206 F\n0.422496 0.850291 0.512794 F\n0.572677 0.370217 0.117569 F\n0.896115 0.797190 0.383697 F\n0.780493 0.260079 0.819275 F\n0.091739 0.817545 0.482874 F\n0.771633 0.924130 0.561966 F\n0.427323 0.129783 0.617569 F\n0.271633 0.075870 0.938034 F\n0.577504 0.649709 0.012794 F\n0.252624 0.012779 0.279252 F\n0.467635 0.584796 0.663348 F\n0.427323 0.629783 0.882431 F\n0.396115 0.702810 0.383697 F\n0.967635 0.915204 0.663348 F\n0.927323 0.870217 0.882431 F\n0.228367 0.075870 0.438034 F\n0.752624 0.987221 0.220748 F\n0.467635 0.084796 0.836652 F\n0.396115 0.202810 0.116303 F\n0.728367 0.424130 0.438034 F\n0.591739 0.682455 0.482874 F\n0.532365 0.415204 0.336652 F\n0.072677 0.129783 0.117569 F\n0.032365 0.084796 0.336652 F\n0.572677 0.870217 0.382431 F\n0.271633 0.575870 0.561966 F\n0.752624 0.487221 0.279252 F\n0.247376 0.012779 0.779252 F\n0.603885 0.297190 0.616303 F\n0.908261 0.682455 0.982874 F\n0.247376 0.512779 0.720748 F\n",
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{
"id": "mp-1204298",
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"structure_string": "Sr8 B16 O64\n1.0\n15.662109 0.000000 0.000000\n0.000000 8.362428 0.000000\n0.000000 4.968549 9.469646\nSr B O\n8 16 64\ndirect\n0.831882 0.991019 0.771537 Sr\n0.668118 0.991019 0.271537 Sr\n0.168118 0.008981 0.228463 Sr\n0.331882 0.008981 0.728463 Sr\n0.588792 0.518465 0.730997 Sr\n0.911208 0.518465 0.230997 Sr\n0.411208 0.481535 0.269003 Sr\n0.088792 0.481535 0.769003 Sr\n0.006469 0.233072 0.578616 B\n0.493531 0.233072 0.078616 B\n0.993531 0.766928 0.421384 B\n0.506469 0.766928 0.921384 B\n0.977575 0.214769 0.071832 B\n0.522425 0.214769 0.571832 B\n0.022425 0.785231 0.928168 B\n0.477575 0.785231 0.428168 B\n0.738089 0.284320 0.432603 B\n0.761911 0.284320 0.932603 B\n0.261911 0.715680 0.567397 B\n0.238089 0.715680 0.067397 B\n0.776521 0.724177 0.572731 B\n0.723479 0.724177 0.072731 B\n0.223479 0.275823 0.427269 B\n0.276521 0.275823 0.927269 B\n0.576151 0.714819 0.861838 O\n0.923849 0.714819 0.361838 O\n0.423849 0.285181 0.138162 O\n0.076151 0.285181 0.638162 O\n0.985079 0.668497 0.571855 O\n0.514921 0.668497 0.071855 O\n0.014921 0.331503 0.428145 O\n0.485079 0.331503 0.928145 O\n0.923591 0.301400 0.598258 O\n0.576409 0.301400 0.098258 O\n0.076409 0.698600 0.401742 O\n0.423591 0.698600 0.901742 O\n0.981062 0.046414 0.635844 O\n0.518938 0.046414 0.135844 O\n0.018938 0.953586 0.364156 O\n0.481062 0.953586 0.864156 O\n0.000376 0.973896 0.870004 O\n0.499624 0.973896 0.370004 O\n0.999624 0.026104 0.129996 O\n0.500376 0.026104 0.629996 O\n0.936375 0.719862 0.923923 O\n0.563625 0.719862 0.423923 O\n0.063625 0.280138 0.076077 O\n0.436375 0.280138 0.576077 O\n0.955542 0.309396 0.923275 O\n0.544458 0.309396 0.423275 O\n0.044458 0.690604 0.076725 O\n0.455542 0.690604 0.576725 O\n0.916674 0.284245 0.133485 O\n0.583326 0.284245 0.633485 O\n0.083326 0.715755 0.866515 O\n0.416674 0.715755 0.366515 O\n0.741662 0.474435 0.867359 O\n0.758338 0.474435 0.367359 O\n0.258338 0.525565 0.132641 O\n0.241662 0.525565 0.632641 O\n0.823314 0.212458 0.874187 O\n0.676686 0.212458 0.374187 O\n0.176686 0.787542 0.125813 O\n0.323314 0.787542 0.625813 O\n0.777097 0.192911 0.082344 O\n0.722903 0.192911 0.582344 O\n0.222903 0.807089 0.917656 O\n0.277097 0.807089 0.417656 O\n0.823006 0.227283 0.408533 O\n0.676994 0.227283 0.908533 O\n0.176994 0.772717 0.591467 O\n0.323006 0.772717 0.091467 O\n0.695379 0.813908 0.927623 O\n0.804621 0.813908 0.427623 O\n0.304621 0.186092 0.072377 O\n0.195379 0.186092 0.572377 O\n0.828535 0.788697 0.648254 O\n0.671465 0.788697 0.148254 O\n0.171465 0.211303 0.351746 O\n0.328535 0.211303 0.851746 O\n0.691745 0.798592 0.579915 O\n0.808255 0.798592 0.079915 O\n0.308255 0.201408 0.420085 O\n0.191745 0.201408 0.920085 O\n0.750613 0.539039 0.132283 O\n0.749387 0.539039 0.632283 O\n0.249387 0.460961 0.867717 O\n0.250613 0.460961 0.367717 O\n",
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{
"id": "mp-1209005",
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"structure_string": "Sr8 B20 Br4 O36\n1.0\n6.531907 0.000000 0.000000\n0.000000 11.610484 0.000000\n0.000000 0.000000 11.704263\nSr B Br O\n8 20 4 36\ndirect\n0.149708 0.039169 0.749552 Sr\n0.149708 0.960831 0.250448 Sr\n0.649708 0.539169 0.750448 Sr\n0.649708 0.460831 0.249552 Sr\n0.314320 0.257932 0.467953 Sr\n0.314320 0.742068 0.532047 Sr\n0.814320 0.757932 0.032047 Sr\n0.814320 0.242068 0.967953 Sr\n0.314986 0.717866 0.194752 B\n0.314986 0.282134 0.805248 B\n0.814986 0.217866 0.305248 B\n0.814986 0.782134 0.694752 B\n0.351775 0.249910 0.027766 B\n0.351775 0.750090 0.972234 B\n0.851775 0.749910 0.472234 B\n0.851775 0.250090 0.527766 B\n0.188043 0.514805 0.234926 B\n0.188043 0.485195 0.765074 B\n0.688043 0.014805 0.265074 B\n0.688043 0.985195 0.734926 B\n0.459959 0.180794 0.223814 B\n0.459959 0.819206 0.776186 B\n0.959959 0.680794 0.276186 B\n0.959959 0.319206 0.723814 B\n0.133162 0.290558 0.195126 B\n0.133162 0.709442 0.804874 B\n0.633162 0.790558 0.304874 B\n0.633162 0.209442 0.695126 B\n0.000158 0.000000 0.000000 Br\n0.500158 0.500000 0.500000 Br\n0.235829 0.000000 0.500000 Br\n0.735829 0.500000 0.000000 Br\n0.505078 0.217062 0.103832 O\n0.505078 0.782938 0.896168 O\n0.005078 0.717062 0.396168 O\n0.005078 0.282938 0.603832 O\n0.410581 0.753258 0.084591 O\n0.410581 0.246742 0.915409 O\n0.910581 0.253258 0.415409 O\n0.910581 0.746742 0.584591 O\n0.344847 0.591483 0.211894 O\n0.344847 0.408517 0.788106 O\n0.844847 0.091483 0.288106 O\n0.844847 0.908517 0.711894 O\n0.592458 0.244831 0.305176 O\n0.592458 0.755169 0.694824 O\n0.092458 0.744831 0.194824 O\n0.092458 0.255169 0.805176 O\n0.412916 0.212932 0.714117 O\n0.412916 0.787068 0.285883 O\n0.912916 0.712932 0.785883 O\n0.912916 0.287068 0.214117 O\n0.497259 0.053798 0.234599 O\n0.497259 0.946202 0.765401 O\n0.997259 0.553798 0.265401 O\n0.997259 0.446202 0.734599 O\n0.243963 0.196109 0.252348 O\n0.243963 0.803891 0.747652 O\n0.743963 0.696109 0.247652 O\n0.743963 0.303891 0.752348 O\n0.161911 0.282655 0.066791 O\n0.161911 0.717345 0.933209 O\n0.661911 0.782655 0.433209 O\n0.661911 0.217345 0.566791 O\n0.239791 0.399961 0.233865 O\n0.239791 0.600039 0.766135 O\n0.739791 0.899961 0.266135 O\n0.739791 0.100039 0.733865 O\n",
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{
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"structure_string": "Sr8 B64 O104\n1.0\n16.850180 0.000000 0.000000\n0.000000 8.497588 0.000000\n0.000000 3.976355 13.483537\nSr B O\n8 64 104\ndirect\n0.501489 0.488853 0.279809 Sr\n0.998511 0.488853 0.779809 Sr\n0.742534 0.903911 0.958298 Sr\n0.498511 0.511147 0.720191 Sr\n0.001489 0.511147 0.220191 Sr\n0.757466 0.903911 0.458298 Sr\n0.257466 0.096089 0.041702 Sr\n0.242534 0.096089 0.541702 Sr\n0.900605 0.570203 0.525444 B\n0.345412 0.225117 0.315246 B\n0.214924 0.732637 0.269545 B\n0.465131 0.070978 0.386079 B\n0.845412 0.774883 0.184754 B\n0.913011 0.050263 0.554261 B\n0.316483 0.611829 0.384227 B\n0.524978 0.058311 0.844045 B\n0.850978 0.170023 0.259568 B\n0.285496 0.295985 0.751378 B\n0.149022 0.829977 0.740432 B\n0.587925 0.754448 0.144751 B\n0.329951 0.389851 0.137367 B\n0.875302 0.340345 0.465019 B\n0.965131 0.929022 0.113921 B\n0.891908 0.548492 0.971432 B\n0.153165 0.723281 0.024462 B\n0.714924 0.267363 0.230455 B\n0.446001 0.154485 0.602730 B\n0.350978 0.829977 0.240432 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O\n0.258394 0.592943 0.836439 O\n0.802456 0.274691 0.055634 O\n0.520843 0.095567 0.588147 O\n0.769983 0.140943 0.276433 O\n0.880122 0.686512 0.271089 O\n0.102090 0.959633 0.685291 O\n0.197544 0.725309 0.944366 O\n0.560144 0.677634 0.422276 O\n0.246494 0.335367 0.157252 O\n0.931101 0.620632 0.601932 O\n0.863623 0.685439 0.733720 O\n0.068899 0.379368 0.398068 O\n0.157792 0.848721 0.067380 O\n0.143887 0.331657 0.551634 O\n0.136931 0.758299 0.243988 O\n0.648649 0.546893 0.555749 O\n",
"nsites": 176,
"nelements": 3,
"elements": [
"Sr",
"B",
"O"
],
"chemical_system": "B-O-Sr",
"density": 2.6291314659852327,
"density_atomic": 0.09116090359124517,
"volume": 1930.6522101751364,
"volume_molar": 6.6060564592498725,
"formula_full": "Sr8 B64 O104",
"formula_reduced": "SrB8O13",
"formula_anonymous": "AB8C13",
"energy": -1472.68989123,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1401.24189123,
"band_gap": 5.5745000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.282000Z",
"spacegroup": 14
},
{
"id": "mp-5401",
"created_at": "2022-09-04T14:40:18.821700Z",
"structure_string": "Sr8 B8 O20\n1.0\n5.392329 0.000000 0.000000\n0.000000 7.830061 0.000000\n0.000000 0.425950 12.047364\nSr B O\n8 8 20\ndirect\n0.946695 0.117208 0.133031 Sr\n0.446695 0.882792 0.366969 Sr\n0.053305 0.882792 0.866969 Sr\n0.553305 0.117208 0.633031 Sr\n0.909034 0.622547 0.160634 Sr\n0.409034 0.377453 0.339366 Sr\n0.090966 0.377453 0.839366 Sr\n0.590966 0.622547 0.660634 Sr\n0.450489 0.836989 0.084335 B\n0.950489 0.163011 0.415665 B\n0.549511 0.163011 0.915665 B\n0.049511 0.836989 0.584335 B\n0.571597 0.660205 0.904301 B\n0.071597 0.339795 0.595699 B\n0.428403 0.339795 0.095699 B\n0.928403 0.660205 0.404301 B\n0.850667 0.355422 0.649063 O\n0.350667 0.644578 0.850937 O\n0.149333 0.644578 0.350937 O\n0.649333 0.355422 0.149063 O\n0.790492 0.610331 0.857612 O\n0.290492 0.389669 0.642388 O\n0.209508 0.389669 0.142388 O\n0.709508 0.610331 0.357612 O\n0.909241 0.898679 0.668959 O\n0.409241 0.101321 0.831041 O\n0.090759 0.101321 0.331041 O\n0.590759 0.898679 0.168959 O\n0.300486 0.853370 0.571379 O\n0.800486 0.146630 0.928621 O\n0.699514 0.146630 0.428621 O\n0.199514 0.853370 0.071379 O\n0.900013 0.742010 0.507743 O\n0.400013 0.257990 0.992257 O\n0.099987 0.257990 0.492257 O\n0.599987 0.742010 0.007743 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "B-O-Sr",
"density": 3.6152153736052792,
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"volume": 508.666995384386,
"volume_molar": 8.509067350475117,
"formula_full": "Sr8 B8 O20",
"formula_reduced": "Sr2B2O5",
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"updated_at": "2021-11-28T01:35:05.306000Z",
"spacegroup": 14
}
]
}