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{
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{
"id": "jvasp-114472",
"created_at": "2022-09-04T14:38:41.198125Z",
"updated_at": "2022-09-04T14:38:41.198159Z",
"structure_string": "B2 Br2\n1.0\n3.052327 -0.000000 0.000000\n-0.000000 3.052327 -0.000000\n-0.000000 -0.000000 7.557784\nB Br\n2 2\ndirect\n0.000000 -0.000000 -0.042295 B\n0.500001 0.500001 0.042295 B\n0.000000 0.000000 0.703590 Br\n0.500001 0.500001 0.296409 Br\n",
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{
"id": "jvasp-114471",
"created_at": "2022-09-04T14:38:42.066105Z",
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"structure_string": "B1 Br2\n1.0\n6.622026 0.000000 2.801613\n0.000000 3.937885 0.000000\n1.768174 0.000000 5.040142\nB Br\n1 2\ndirect\n0.003307 0.000000 0.207666 B\n-0.122471 0.000000 -0.009639 Br\n0.346260 0.000000 -0.009805 Br\n",
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{
"id": "jvasp-114473",
"created_at": "2022-09-04T14:38:41.901921Z",
"updated_at": "2022-09-04T14:38:41.901957Z",
"structure_string": "B1 Br3\n1.0\n5.428409 -0.652524 0.670618\n-3.309139 -5.368853 0.695796\n0.699941 -2.119825 -3.400733\nB Br\n1 3\ndirect\n0.941150 0.271559 0.074935 B\n0.942447 -0.031785 0.089379 Br\n0.633057 0.270763 0.355513 Br\n0.248739 0.575732 0.787946 Br\n",
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"formula_full": "B1 Br3",
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{
"id": "jvasp-114467",
"created_at": "2022-09-04T14:38:41.124750Z",
"updated_at": "2022-09-04T14:38:41.124783Z",
"structure_string": "B1 Br3\n1.0\n6.369184 0.000000 -0.000000\n-3.184592 5.515875 0.000000\n-0.000000 0.000000 4.018956\nB Br\n1 3\ndirect\n0.000000 0.000000 0.000000 B\n0.300307 0.000000 0.000000 Br\n1.000000 0.300307 0.000000 Br\n0.699693 0.699694 0.000000 Br\n",
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"volume": 141.192446225721,
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},
{
"id": "jvasp-173",
"created_at": "2022-09-04T14:36:45.754861Z",
"updated_at": "2022-09-04T14:36:45.754886Z",
"structure_string": "B2 Br6\n1.0\n3.201310 -5.544831 0.000000\n3.201309 5.544831 0.000000\n0.000000 0.000000 6.731259\nB Br\n2 6\ndirect\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.044689 0.361042 0.250000 Br\n0.683647 0.044689 0.750000 Br\n0.361042 0.316353 0.750000 Br\n0.638958 0.683647 0.250000 Br\n0.316353 0.955311 0.250000 Br\n0.955311 0.638958 0.750000 Br\n",
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"volume": 238.96938961573127,
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"formula_full": "B2 Br6",
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},
{
"id": "jvasp-51252",
"created_at": "2022-09-04T14:37:04.304999Z",
"updated_at": "2022-09-04T14:37:04.305021Z",
"structure_string": "Bi1 B1 Te1\n1.0\n-0.000000 3.338276 3.338276\n3.338276 -0.000000 3.338276\n3.338276 3.338276 0.000000\nBi B Te\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 B\n0.500001 0.500001 0.500001 Te\n",
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"formula_full": "Bi1 B1 Te1",
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{
"id": "jvasp-51293",
"created_at": "2022-09-04T14:36:35.124967Z",
"updated_at": "2022-09-04T14:36:35.124993Z",
"structure_string": "Sr1 Bi1 B1\n1.0\n-0.000000 3.656932 3.656932\n3.656932 0.000000 3.656932\n3.656932 3.656932 -0.000000\nSr Bi B\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 B\n",
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"density_atomic": 0.03067189471035003,
"volume": 97.80941243866717,
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"formula_full": "Sr1 Bi1 B1",
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"spacegroup": 216
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{
"id": "jvasp-26750",
"created_at": "2022-09-04T14:38:28.225996Z",
"updated_at": "2022-09-04T14:38:28.226007Z",
"structure_string": "Zn4 Bi8 B8 O28\n1.0\n4.942165 0.000000 0.000000\n0.000000 10.896086 0.000000\n0.000000 0.000000 11.005410\nZn Bi B O\n4 8 8 28\ndirect\n0.069651 0.741158 0.242750 Zn\n0.069651 0.241158 0.257250 Zn\n0.069651 0.258843 0.757250 Zn\n0.069651 0.758843 0.742750 Zn\n0.583017 0.321990 0.027932 Bi\n0.579229 0.512715 0.315273 Bi\n0.579229 0.487285 0.684727 Bi\n0.583017 0.678010 0.972068 Bi\n0.579229 0.987286 0.815273 Bi\n0.583017 0.178010 0.527932 Bi\n0.583017 0.821990 0.472068 Bi\n0.579229 0.012715 0.184727 Bi\n0.126176 0.486179 0.127602 B\n0.078113 0.615981 0.521569 B\n0.078113 0.115981 0.978431 B\n0.126176 0.013822 0.627602 B\n0.126176 0.986179 0.372398 B\n0.078113 0.384019 0.478431 B\n0.126176 0.513822 0.872398 B\n0.078113 0.884019 0.021569 B\n0.268563 0.128212 0.674295 O\n0.336423 0.634272 0.483311 O\n0.336423 0.865729 0.983311 O\n0.336423 0.134271 0.016689 O\n0.249310 0.587830 0.201252 O\n0.249310 0.912171 0.701252 O\n0.336423 0.365729 0.516689 O\n0.738146 0.699819 0.328149 O\n0.249310 0.412171 0.798748 O\n0.830380 0.019768 0.639523 O\n0.738146 0.800182 0.828149 O\n0.830380 0.980233 0.360477 O\n0.268563 0.871789 0.325705 O\n0.925232 0.696891 0.585971 O\n0.925232 0.803109 0.085971 O\n0.738146 0.300181 0.671851 O\n0.218527 0.000000 0.500000 O\n0.830380 0.519768 0.860477 O\n0.249310 0.087830 0.298748 O\n0.830380 0.480232 0.139523 O\n0.954905 0.000000 0.000000 O\n0.738146 0.199819 0.171851 O\n0.268563 0.371789 0.174295 O\n0.925232 0.196891 0.914029 O\n0.218527 0.500000 0.000000 O\n0.954905 0.500000 0.500000 O\n0.925232 0.303109 0.414029 O\n0.268563 0.628212 0.825705 O\n",
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"elements": [
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"O"
],
"chemical_system": "B-Bi-O-Zn",
"density": 6.9149896584182935,
"density_atomic": 0.08099295562762732,
"volume": 592.6441334069161,
"volume_molar": 7.435388316593057,
"formula_full": "Zn4 Bi8 B8 O28",
"formula_reduced": "ZnBi2B2O7",
"formula_anonymous": "AB2C2D7",
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"spacegroup": 32
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{
"id": "jvasp-24301",
"created_at": "2022-09-04T14:38:28.922773Z",
"updated_at": "2022-09-04T14:38:28.922804Z",
"structure_string": "Sr2 Bi4 B8 O20\n1.0\n6.833038 -0.070467 -0.020554\n-1.482924 6.632921 -0.052633\n-3.213245 -1.697588 9.218609\nSr Bi B O\n2 4 8 20\ndirect\n0.035620 0.842190 0.167529 Sr\n0.964381 0.157810 0.832472 Sr\n0.727121 0.632552 0.666709 Bi\n0.272879 0.367447 0.333292 Bi\n0.701278 0.028985 0.403532 Bi\n0.298722 0.971015 0.596469 Bi\n0.590916 0.264007 0.903575 B\n0.799735 0.287800 0.171277 B\n0.409085 0.735992 0.096426 B\n0.200265 0.712199 0.828724 B\n0.844958 0.595787 0.368950 B\n0.602591 0.791680 0.930299 B\n0.397409 0.208320 0.069702 B\n0.155043 0.404213 0.631051 B\n0.885845 0.506609 0.249741 O\n0.924290 0.808578 0.402571 O\n0.062198 0.829979 0.753160 O\n0.261877 0.516243 0.556200 O\n0.114155 0.493390 0.750259 O\n0.788801 0.818893 0.906443 O\n0.582785 0.246969 0.763782 O\n0.937802 0.170020 0.246841 O\n0.738123 0.483757 0.443801 O\n0.598307 0.752153 0.065747 O\n0.783613 0.288090 0.016291 O\n0.211200 0.181107 0.093558 O\n0.358056 0.100818 0.408899 O\n0.582815 0.198213 0.173264 O\n0.417186 0.801786 0.826737 O\n0.417216 0.753031 0.236219 O\n0.641944 0.899181 0.591101 O\n0.075711 0.191421 0.597430 O\n0.216387 0.711909 0.983710 O\n0.401693 0.247847 0.934254 O\n",
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{
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"created_at": "2022-09-04T14:38:47.246714Z",
"updated_at": "2022-09-04T14:38:47.246725Z",
"structure_string": "Bi1 B1 O3\n1.0\n3.575064 -0.000000 0.000000\n0.000000 3.575064 0.000000\n-0.000000 0.000000 3.575064\nBi B O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Bi\n0.000000 0.000000 0.000000 B\n0.000000 0.499999 0.000000 O\n0.000000 0.000000 0.499999 O\n0.499999 0.000000 0.000000 O\n",
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},
{
"id": "jvasp-115470",
"created_at": "2022-09-04T14:38:46.442136Z",
"updated_at": "2022-09-04T14:38:46.442160Z",
"structure_string": "Bi1 B1 O2\n1.0\n2.955407 -0.000000 -0.000000\n-0.000000 2.955407 0.000000\n-0.000000 0.000000 6.130386\nBi B O\n1 1 2\ndirect\n0.000000 0.000000 0.369410 Bi\n0.500000 0.500000 0.843042 B\n0.000000 0.000000 0.739269 O\n0.500000 0.500000 0.048280 O\n",
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{
"id": "jvasp-115468",
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"structure_string": "Bi1 B1 O1\n1.0\n3.316190 0.000000 -0.000000\n-0.000000 3.316190 0.000000\n-0.000000 -0.000000 6.382691\nBi B O\n1 1 1\ndirect\n0.000000 0.000000 0.619849 Bi\n0.000000 0.000000 0.245375 B\n0.000000 0.000000 0.054235 O\n",
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}