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{
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"results": [
{
"id": "jvasp-101741",
"created_at": "2022-09-04T14:36:45.714714Z",
"updated_at": "2022-09-04T14:36:45.714723Z",
"structure_string": "Bi1 Sb1\n1.0\n3.948648 0.001206 2.577908\n1.396264 3.693544 2.577908\n0.001745 0.001206 4.715658\nBi Sb\n1 1\ndirect\n0.766124 0.766125 0.766125 Bi\n0.233876 0.233876 0.233876 Sb\n",
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{
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"structure_string": "Bi1 Sb2 Os1\n1.0\n0.000000 3.598529 3.598529\n3.598529 0.000000 3.598529\n3.598529 3.598529 0.000000\nBi Sb Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.750000 Sb\n0.500000 0.500000 0.500000 Os\n",
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{
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"created_at": "2022-09-04T14:38:11.653906Z",
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"structure_string": "Bi2 Sb2 O6\n1.0\n-2.974190 2.815535 5.599701\n0.038510 3.064815 -4.729329\n-2.904822 -2.054346 -4.980061\nBi Sb O\n2 2 6\ndirect\n0.878775 0.127487 0.606482 Bi\n0.121225 0.872512 0.393519 Bi\n0.617785 0.351026 0.917677 Sb\n0.382214 0.648975 0.082323 Sb\n0.047339 0.771783 0.740182 O\n0.504003 0.980984 0.796241 O\n0.248079 0.455816 0.750824 O\n0.751918 0.544183 0.249175 O\n0.495996 0.019015 0.203761 O\n0.952660 0.228216 0.259818 O\n",
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{
"id": "jvasp-12477",
"created_at": "2022-09-04T14:38:11.784597Z",
"updated_at": "2022-09-04T14:38:11.784622Z",
"structure_string": "Bi2 Sb2 O8\n1.0\n4.624058 -0.000000 -1.878551\n-0.566834 5.320683 -1.395265\n-0.035801 -0.045114 6.542218\nBi Sb O\n2 2 8\ndirect\n0.753904 0.250000 0.500000 Bi\n0.246097 0.750000 0.500000 Bi\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 -0.000000 Sb\n0.810188 0.536505 0.308533 O\n0.001655 0.963495 0.691466 O\n0.189814 0.463495 0.691467 O\n0.998347 0.036505 0.308534 O\n0.365406 0.829796 0.131412 O\n0.733994 0.670203 0.868588 O\n0.634596 0.170204 0.868589 O\n0.266007 0.329797 0.131412 O\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Bi-O-Sb",
"density": 8.180067876241052,
"density_atomic": 0.07487729105498069,
"volume": 160.26220808641,
"volume_molar": 8.042679796706427,
"formula_full": "Bi2 Sb2 O8",
"formula_reduced": "BiSbO4",
"formula_anonymous": "ABC4",
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"spacegroup": 15
},
{
"id": "jvasp-30774",
"created_at": "2022-09-04T14:38:04.765085Z",
"updated_at": "2022-09-04T14:38:04.765106Z",
"structure_string": "Bi4 Sb4 O20\n1.0\n5.303690 0.470494 0.000000\n-1.591083 7.811102 0.000000\n0.000000 0.000000 9.969054\nBi Sb O\n4 4 20\ndirect\n0.159728 0.118214 0.108788 Bi\n0.840273 0.881785 0.891211 Bi\n0.659728 0.618214 0.391212 Bi\n0.340273 0.381785 0.608788 Bi\n0.745085 0.987252 0.590381 Sb\n0.254915 0.012747 0.409619 Sb\n0.754915 0.512747 0.090381 Sb\n0.245085 0.487252 0.909618 Sb\n0.585614 0.630448 0.930896 O\n0.914386 0.869551 0.430897 O\n0.661172 0.061371 0.770776 O\n0.056248 0.661912 0.008148 O\n0.220389 0.004475 0.922586 O\n0.395037 0.303904 0.807209 O\n0.161172 0.561371 0.729224 O\n0.779611 0.995524 0.077414 O\n0.085614 0.130448 0.569103 O\n0.338828 -0.061372 0.229224 O\n0.556248 0.161911 0.491852 O\n0.443753 0.838088 0.508148 O\n-0.104963 0.803904 0.692790 O\n0.838828 0.438628 0.270776 O\n0.720389 0.504475 0.577414 O\n0.604963 0.696096 0.192790 O\n0.943752 0.338088 -0.008148 O\n0.414386 0.369551 0.069103 O\n0.279611 0.495524 0.422586 O\n0.104963 0.196096 0.307209 O\n",
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"density_atomic": 0.06659414259852518,
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"volume_molar": 9.043048720223883,
"formula_full": "Bi4 Sb4 O20",
"formula_reduced": "BiSbO5",
"formula_anonymous": "ABC5",
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"spacegroup": 14
},
{
"id": "jvasp-100029",
"created_at": "2022-09-04T14:36:35.639787Z",
"updated_at": "2022-09-04T14:36:35.639806Z",
"structure_string": "Bi1 Sb1 Pd2\n1.0\n4.219224 -0.000000 0.000000\n-2.109613 3.653955 -0.000000\n0.000000 0.000000 5.778786\nBi Sb Pd\n1 1 2\ndirect\n0.333334 0.666668 0.500000 Bi\n0.000000 0.000000 0.000000 Sb\n0.666667 0.333333 0.757419 Pd\n0.666667 0.333333 0.242581 Pd\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.04489806268941532,
"volume": 89.09070370519565,
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"formula_full": "Bi1 Sb1 Pd2",
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"spacegroup": 187
},
{
"id": "jvasp-101227",
"created_at": "2022-09-04T14:36:39.826820Z",
"updated_at": "2022-09-04T14:36:39.826839Z",
"structure_string": "Bi1 Sb1 Pt2\n1.0\n4.330945 -0.000000 0.000000\n-2.165473 3.750708 0.000000\n0.000000 0.000000 5.593660\nBi Sb Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Bi\n0.333334 0.666667 0.500000 Sb\n0.666668 0.333333 0.744893 Pt\n0.666668 0.333333 0.255107 Pt\n",
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"volume": 90.86402867296155,
"volume_molar": 13.679899267231262,
"formula_full": "Bi1 Sb1 Pt2",
"formula_reduced": "BiSbPt2",
"formula_anonymous": "ABC2",
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"spacegroup": 187
},
{
"id": "jvasp-5254",
"created_at": "2022-09-04T14:37:35.022005Z",
"updated_at": "2022-09-04T14:37:35.022033Z",
"structure_string": "Bi4 S4 Br4\n1.0\n4.093339 0.000000 0.000000\n0.000000 8.267740 0.000000\n0.000000 0.000000 9.879506\nBi S Br\n4 4 4\ndirect\n0.750000 0.361016 0.632451 Bi\n0.250000 0.638984 0.367549 Bi\n0.750000 0.861016 0.867549 Bi\n0.250000 0.138984 0.132451 Bi\n0.250000 0.333028 0.447341 S\n0.750000 0.166972 0.947342 S\n0.250000 0.833028 0.052659 S\n0.750000 0.666972 0.552659 S\n0.750000 0.489331 0.173587 Br\n0.250000 0.010669 0.673588 Br\n0.750000 0.989331 0.326413 Br\n0.250000 0.510668 0.826413 Br\n",
"nsites": 12,
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"elements": [
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],
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"density": 6.375964694892175,
"density_atomic": 0.03589066396762259,
"volume": 334.3487880532204,
"volume_molar": 16.779128871599166,
"formula_full": "Bi4 S4 Br4",
"formula_reduced": "BiSBr",
"formula_anonymous": "ABC",
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"spacegroup": 62
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{
"id": "jvasp-111827",
"created_at": "2022-09-04T14:38:41.002778Z",
"updated_at": "2022-09-04T14:38:41.002804Z",
"structure_string": "Bi3 Sb3 Te6\n1.0\n4.365031 -0.000000 -0.000000\n-2.182514 3.780227 0.000000\n-0.000000 0.000000 25.532184\nBi Sb Te\n3 3 6\ndirect\n0.333334 0.666668 0.873810 Bi\n0.333334 0.666668 0.125535 Bi\n0.666667 0.333333 0.467975 Bi\n0.000000 -0.000000 0.533063 Sb\n0.333334 0.666668 0.710582 Sb\n0.333334 0.666668 0.288765 Sb\n0.666667 0.333333 0.209976 Te\n0.000000 -0.000000 0.790759 Te\n0.666667 0.333333 0.943457 Te\n0.000000 -0.000000 0.056225 Te\n0.666667 0.333333 0.643996 Te\n0.000000 -0.000000 0.355858 Te\n",
"nsites": 12,
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"formula_full": "Bi3 Sb3 Te6",
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"formula_anonymous": "ABC2",
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"spacegroup": 156
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{
"id": "jvasp-12514",
"created_at": "2022-09-04T14:38:15.464867Z",
"updated_at": "2022-09-04T14:38:15.464876Z",
"structure_string": "Bi4 S4 Cl4\n1.0\n4.023215 0.000000 0.000000\n-0.000000 7.848498 0.000000\n0.000000 0.000000 9.935127\nBi S Cl\n4 4 4\ndirect\n0.250000 0.642279 0.365279 Bi\n0.750001 0.357722 0.634722 Bi\n0.250000 0.142279 0.134721 Bi\n0.750001 0.857722 0.865279 Bi\n0.750001 0.678764 0.550231 S\n0.250000 0.821236 0.050230 S\n0.750001 0.178764 0.949770 S\n0.250000 0.321236 0.449770 S\n0.250000 0.516824 0.810494 Cl\n0.750001 0.983177 0.310494 Cl\n0.250000 0.016823 0.689506 Cl\n0.750001 0.483177 0.189506 Cl\n",
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"formula_full": "Bi4 S4 Cl4",
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{
"id": "jvasp-29617",
"created_at": "2022-09-04T14:38:05.312382Z",
"updated_at": "2022-09-04T14:38:05.312420Z",
"structure_string": "Bi2 Se2\n1.0\n4.179543 0.113103 -0.713919\n-0.234760 4.174476 -0.713920\n0.077951 0.084726 13.058398\nBi Se\n2 2\ndirect\n0.683858 0.683859 0.370772 Bi\n0.313048 0.313049 0.629238 Bi\n0.799139 0.799140 0.603545 Se\n0.195953 0.195954 0.396446 Se\n",
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{
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"created_at": "2022-09-04T14:36:53.647556Z",
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"structure_string": "Bi4 Se4\n1.0\n7.204379 0.000000 0.000000\n-0.000000 4.272612 4.002686\n-0.000000 0.142102 8.410741\nBi Se\n4 4\ndirect\n0.814108 0.633358 0.866648 Bi\n0.685893 0.633358 0.366648 Bi\n0.185893 0.366641 0.133353 Bi\n0.314108 0.366641 0.633353 Bi\n0.844140 0.215967 0.784052 Se\n0.655860 0.215967 0.284052 Se\n0.155860 0.784032 0.215949 Se\n0.344140 0.784032 0.715949 Se\n",
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]
}