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{
"count": 55712,
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"results": [
{
"id": "jvasp-13419",
"created_at": "2022-09-04T14:36:56.779816Z",
"updated_at": "2022-09-04T14:36:56.779841Z",
"structure_string": "Sb8 S8 O4\n1.0\n5.880775 -0.056147 0.051646\n-2.787334 7.707246 0.003921\n-2.522330 -3.091309 10.002770\nSb S O\n8 8 4\ndirect\n0.336161 0.355844 0.100574 Sb\n0.663840 0.644157 0.899427 Sb\n0.360874 0.870282 0.134372 Sb\n0.639128 0.129718 0.865628 Sb\n0.982553 0.338440 0.367791 Sb\n0.017449 0.661560 0.632209 Sb\n0.963853 0.832028 0.366446 Sb\n0.036149 0.167972 0.633554 Sb\n0.482625 0.705307 0.304913 S\n0.517377 0.294694 0.695087 S\n0.497977 0.191291 0.298284 S\n0.502025 0.808709 0.701716 S\n0.225168 0.524292 0.912866 S\n0.774685 0.954688 0.087492 S\n0.774833 0.475708 0.087134 S\n0.225317 0.045313 0.912508 S\n0.961152 0.099584 0.430795 O\n0.926456 0.586788 0.428710 O\n0.073546 0.413212 0.571291 O\n0.038849 0.900416 0.569205 O\n",
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},
{
"id": "jvasp-58906",
"created_at": "2022-09-04T14:36:30.849801Z",
"updated_at": "2022-09-04T14:36:30.849835Z",
"structure_string": "Sb8 S8 O4\n1.0\n5.880387 -0.056315 0.051978\n-2.787369 7.707376 0.003855\n-2.521502 -3.091135 10.002263\nSb S O\n8 8 4\ndirect\n0.336142 0.355782 0.100549 Sb\n0.663858 0.644218 0.899451 Sb\n0.360849 0.870261 0.134423 Sb\n0.639151 0.129739 0.865577 Sb\n0.982563 0.338448 0.367781 Sb\n0.017438 0.661551 0.632219 Sb\n0.963833 0.832022 0.366433 Sb\n0.036168 0.167978 0.633568 Sb\n0.482593 0.705297 0.304934 S\n0.517408 0.294702 0.695066 S\n0.497981 0.191302 0.298292 S\n0.502019 0.808697 0.701708 S\n0.225152 0.524292 0.912866 S\n0.774659 0.954682 0.087505 S\n0.774848 0.475707 0.087134 S\n0.225342 0.045317 0.912495 S\n0.961171 0.099593 0.430796 O\n0.926425 0.586779 0.428708 O\n0.073576 0.413220 0.571293 O\n0.038830 0.900406 0.569205 O\n",
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],
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"formula_full": "Sb8 S8 O4",
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"spacegroup": 2
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{
"id": "jvasp-97812",
"created_at": "2022-09-04T14:35:51.952653Z",
"updated_at": "2022-09-04T14:35:51.952674Z",
"structure_string": "Sb8 S12 O48\n1.0\n4.748635 0.000000 0.000000\n0.000000 12.822982 -2.465643\n0.000000 0.035462 14.465743\nSb S O\n8 12 48\ndirect\n0.412412 0.924813 0.283625 Sb\n0.310036 0.826678 0.933100 Sb\n0.810036 0.673322 0.566900 Sb\n0.689965 0.173322 0.066900 Sb\n0.912412 0.575187 0.216375 Sb\n0.087589 0.424813 0.783625 Sb\n0.587589 0.075187 0.716375 Sb\n0.189965 0.326678 0.433100 Sb\n0.863461 0.942164 0.108713 S\n0.363461 0.557836 0.391288 S\n0.636540 0.442164 0.608712 S\n0.825149 0.651246 0.821957 S\n0.325149 0.848754 0.678043 S\n0.136540 0.057836 0.891287 S\n0.674852 0.151246 0.321957 S\n0.558372 0.335903 0.895318 S\n0.058371 0.164097 0.604682 S\n0.441629 0.664097 0.104682 S\n0.941630 0.835903 0.395318 S\n0.174852 0.348754 0.178043 S\n0.400142 0.436614 0.900016 O\n0.547227 0.136399 0.227869 O\n0.047226 0.363600 0.272131 O\n0.452774 0.863600 0.772131 O\n0.952775 0.636399 0.727869 O\n0.569596 0.063311 0.369528 O\n0.930405 0.563311 0.869528 O\n0.430405 0.936689 0.630472 O\n0.570507 0.251159 0.384164 O\n0.070507 0.248841 0.115836 O\n0.429494 0.748841 0.615836 O\n0.900143 0.063386 0.599983 O\n0.069596 0.436689 0.130472 O\n0.018638 0.842277 0.677512 O\n0.863769 0.935729 0.211274 O\n0.543346 0.303097 0.986839 O\n0.363769 0.564271 0.288726 O\n0.136232 0.064270 0.788726 O\n0.636232 0.435729 0.711274 O\n0.044454 0.853971 0.060806 O\n0.544454 0.646029 0.439194 O\n0.955547 0.146029 0.939194 O\n0.455547 0.353971 0.560806 O\n0.572522 0.934695 0.073202 O\n0.072522 0.565305 0.426798 O\n0.427479 0.065305 0.926798 O\n0.927479 0.434695 0.573202 O\n0.990306 0.043851 0.096841 O\n0.490305 0.456149 0.403159 O\n0.009695 0.956149 0.903159 O\n0.099858 0.936614 0.400017 O\n0.509696 0.543851 0.596841 O\n0.518638 0.657723 0.822488 O\n0.481363 0.342277 0.177512 O\n0.981363 0.157723 0.322488 O\n0.057765 0.760123 0.316251 O\n0.557766 0.739877 0.183749 O\n0.942236 0.239877 0.683749 O\n0.442235 0.260123 0.816251 O\n0.629788 0.854683 0.379574 O\n0.129788 0.645316 0.120426 O\n0.370213 0.145316 0.620426 O\n0.870213 0.354683 0.879574 O\n0.956655 0.803097 0.486839 O\n0.456655 0.696903 0.013161 O\n0.043346 0.196903 0.513161 O\n0.929494 0.751159 0.884164 O\n0.599859 0.563386 0.099983 O\n",
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"density": 4.007549425512362,
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"volume": 881.2583253947602,
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"formula_full": "Sb8 S12 O48",
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"formula_anonymous": "A2B3C12",
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"spacegroup": 14
},
{
"id": "jvasp-4285",
"created_at": "2022-09-04T14:38:02.159002Z",
"updated_at": "2022-09-04T14:38:02.159019Z",
"structure_string": "Sb8 S12\n1.0\n3.889911 0.000000 0.000000\n0.000000 11.199032 0.000000\n0.000000 0.000000 11.472339\nSb S\n8 12\ndirect\n0.750000 0.964672 0.349747 Sb\n0.250000 0.035328 0.650253 Sb\n0.250000 0.464672 0.150253 Sb\n0.750000 0.535328 0.849747 Sb\n0.250000 0.673232 0.474348 Sb\n0.750000 0.326768 0.525653 Sb\n0.750000 0.173232 0.025652 Sb\n0.250000 0.826768 0.974348 Sb\n0.750000 0.307923 0.207929 S\n0.250000 0.692076 0.792071 S\n0.750000 0.625150 0.049795 S\n0.250000 0.374849 0.950205 S\n0.250000 0.125150 0.450205 S\n0.250000 0.440665 0.624157 S\n0.750000 0.940664 0.875843 S\n0.250000 0.059335 0.124157 S\n0.750000 0.192077 0.707929 S\n0.750000 0.559335 0.375843 S\n0.750000 0.874849 0.549795 S\n0.250000 0.807923 0.292071 S\n",
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"elements": [
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"chemical_system": "S-Sb",
"density": 4.514936952093696,
"density_atomic": 0.04001822977706276,
"volume": 499.7722315908985,
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"formula_full": "Sb8 S12",
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"formula_anonymous": "A2B3",
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"spacegroup": 62
},
{
"id": "jvasp-19010",
"created_at": "2022-09-04T14:37:07.723870Z",
"updated_at": "2022-09-04T14:37:07.723900Z",
"structure_string": "Sb8 S12\n1.0\n3.889722 0.000000 0.000000\n0.000000 11.198930 0.000000\n0.000000 0.000000 11.472696\nSb S\n8 12\ndirect\n0.750000 0.464686 0.849747 Sb\n0.250000 0.535314 0.150253 Sb\n0.250000 0.964686 0.650253 Sb\n0.750000 0.035314 0.349747 Sb\n0.250000 0.173237 0.974329 Sb\n0.750000 0.826763 0.025672 Sb\n0.750000 0.673237 0.525672 Sb\n0.250000 0.326763 0.474329 Sb\n0.750000 0.807931 0.707934 S\n0.250000 0.192069 0.292066 S\n0.750000 0.125154 0.549791 S\n0.250000 0.874846 0.450210 S\n0.250000 0.625154 0.950210 S\n0.250000 0.940666 0.124163 S\n0.750000 0.440666 0.375837 S\n0.250000 0.559334 0.624163 S\n0.750000 0.692069 0.207934 S\n0.750000 0.059334 0.875838 S\n0.750000 0.374846 0.049790 S\n0.250000 0.307931 0.792066 S\n",
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"density": 4.515056954114765,
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"formula_full": "Sb8 S12",
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"spacegroup": 62
},
{
"id": "jvasp-9135",
"created_at": "2022-09-04T14:37:17.086432Z",
"updated_at": "2022-09-04T14:37:17.086441Z",
"structure_string": "Sb8 Rh4\n1.0\n0.000000 6.721460 -0.006895\n6.660640 0.000000 0.000000\n0.000000 -3.014076 -6.083928\nSb Rh\n8 4\ndirect\n0.344684 0.638458 0.173577 Sb\n0.655316 0.138458 0.326422 Sb\n0.655315 0.361542 0.826422 Sb\n0.344683 0.861542 0.673577 Sb\n0.150372 0.362855 0.371279 Sb\n0.849628 0.862855 0.128720 Sb\n0.849627 0.637145 0.628720 Sb\n0.150372 0.137145 0.871279 Sb\n0.270629 0.000399 0.285255 Rh\n0.729370 0.500399 0.214745 Rh\n0.729370 0.999601 0.714745 Rh\n0.270629 0.499601 0.785255 Rh\n",
"nsites": 12,
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],
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"density": 8.443735884636682,
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"volume": 272.51116533055335,
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"formula_full": "Sb8 Rh4",
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},
{
"id": "jvasp-20317",
"created_at": "2022-09-04T14:38:30.885824Z",
"updated_at": "2022-09-04T14:38:30.885843Z",
"structure_string": "Sb8 Pt4\n1.0\n6.563063 0.000000 0.000000\n-0.000000 6.563063 0.000000\n-0.000000 -0.000000 6.563063\nSb Pt\n8 4\ndirect\n0.374841 0.125159 0.874841 Sb\n0.125159 0.874841 0.374841 Sb\n0.874841 0.374841 0.125159 Sb\n0.625159 0.625159 0.625159 Sb\n0.374841 0.374841 0.374841 Sb\n0.125159 0.625159 0.874841 Sb\n0.874841 0.125159 0.625159 Sb\n0.625159 0.874841 0.125159 Sb\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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"elements": [
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"density": 10.30533128090318,
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},
{
"id": "jvasp-20142",
"created_at": "2022-09-04T14:38:08.415453Z",
"updated_at": "2022-09-04T14:38:08.415481Z",
"structure_string": "Sb8 Pd4\n1.0\n6.577213 -0.000000 -0.000000\n-0.000000 6.577213 0.000000\n0.000000 -0.000000 6.577213\nSb Pd\n8 4\ndirect\n0.373345 0.373345 0.373345 Sb\n0.126655 0.626655 0.873344 Sb\n0.873344 0.126655 0.626655 Sb\n0.626655 0.873344 0.126655 Sb\n0.626655 0.626655 0.626655 Sb\n0.873344 0.373345 0.126655 Sb\n0.126655 0.873344 0.373345 Sb\n0.373345 0.126655 0.873344 Sb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 12,
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"elements": [
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],
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"density": 8.16915162132807,
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"volume": 284.52846410581645,
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"formula_full": "Sb8 Pd4",
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"spacegroup": 205
},
{
"id": "jvasp-50847",
"created_at": "2022-09-04T14:37:06.310637Z",
"updated_at": "2022-09-04T14:37:06.310649Z",
"structure_string": "Sb8 O8 F8\n1.0\n9.807112 -0.000000 0.000000\n0.000000 9.807112 0.000000\n0.000000 0.000000 4.303747\nSb O F\n8 8 8\ndirect\n0.023876 0.757940 0.142989 Sb\n0.242060 0.023876 0.857012 Sb\n0.257940 0.523876 0.642989 Sb\n0.476124 0.257940 0.357012 Sb\n0.523876 0.742060 0.357012 Sb\n0.742060 0.476124 0.642989 Sb\n0.757940 0.976124 0.857012 Sb\n0.976124 0.242060 0.142989 Sb\n0.869305 0.882867 0.192388 O\n0.882867 0.130695 0.807613 O\n0.617132 0.630695 0.692388 O\n0.630695 0.382868 0.307613 O\n0.369305 0.617132 0.307613 O\n0.382868 0.369305 0.692388 O\n0.117132 0.869305 0.807613 O\n0.130695 0.117132 0.192388 O\n0.060941 0.333269 0.770932 F\n0.166731 0.439059 0.270932 F\n0.333269 0.939059 0.229068 F\n0.439059 0.833269 0.729069 F\n0.560941 0.166731 0.729069 F\n0.666730 0.060941 0.229068 F\n0.833269 0.560941 0.270932 F\n0.939059 0.666730 0.770932 F\n",
"nsites": 24,
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],
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"volume": 413.9320012396789,
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"formula_reduced": "SbOF",
"formula_anonymous": "ABC",
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"spacegroup": 114
},
{
"id": "jvasp-49175",
"created_at": "2022-09-04T14:37:17.944293Z",
"updated_at": "2022-09-04T14:37:17.944316Z",
"structure_string": "Sb8 O16\n1.0\n6.478490 0.000000 3.740358\n2.159496 6.107979 3.740358\n0.000000 0.000000 7.480717\nSb O\n8 16\ndirect\n0.500000 0.500000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n-0.000000 -0.000000 0.500000 Sb\n0.500000 -0.000000 0.000000 Sb\n0.000000 0.500000 -0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.104306 0.104306 0.645694 O\n0.104307 0.645694 0.104306 O\n0.354307 0.895694 0.354307 O\n0.895694 0.354306 0.895694 O\n0.625000 0.625000 0.625000 O\n0.895694 0.895694 0.354307 O\n0.645694 0.104306 0.104307 O\n0.645694 0.645694 0.104307 O\n0.645694 0.104306 0.645694 O\n0.354307 0.895694 0.895694 O\n0.104307 0.645694 0.645694 O\n0.875000 0.875000 0.875001 O\n0.125000 0.125000 0.125000 O\n0.375000 0.375000 0.375000 O\n0.354307 0.354306 0.895694 O\n0.895694 0.354306 0.354307 O\n",
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"elements": [
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"formula_full": "Sb8 O16",
"formula_reduced": "SbO2",
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"spacegroup": 227
},
{
"id": "jvasp-59746",
"created_at": "2022-09-04T14:38:31.031123Z",
"updated_at": "2022-09-04T14:38:31.031149Z",
"structure_string": "Sb8 O16\n1.0\n6.447878 -0.000000 3.722684\n2.149292 6.079117 3.722684\n-0.000000 -0.000000 7.445369\nSb O\n8 16\ndirect\n0.751194 0.751194 0.751193 Sb\n0.753582 0.248806 0.248805 Sb\n0.248806 0.753582 0.248805 Sb\n0.246418 0.751194 0.751194 Sb\n0.751194 0.246418 0.751193 Sb\n0.751194 0.751194 0.246417 Sb\n0.248806 0.248806 0.248806 Sb\n0.248806 0.248806 0.753582 Sb\n0.179632 0.179632 0.570368 O\n0.179631 0.570369 0.179631 O\n0.429631 0.820369 0.429631 O\n0.820368 0.429632 0.820368 O\n-0.000000 0.500000 -0.000000 O\n0.820368 0.820369 0.429631 O\n0.570368 0.179632 0.179631 O\n0.570368 0.570369 0.179631 O\n0.570368 0.179632 0.570368 O\n0.429631 0.820369 0.820368 O\n0.179631 0.570369 0.570368 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 O\n0.429632 0.429632 0.820368 O\n0.820368 0.429632 0.429631 O\n",
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"density": 6.998992450815642,
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"formula_full": "Sb8 O16",
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"spacegroup": 227
},
{
"id": "jvasp-30793",
"created_at": "2022-09-04T14:38:39.877355Z",
"updated_at": "2022-09-04T14:38:39.877376Z",
"structure_string": "Sb8 O16\n1.0\n6.162902 -0.214624 2.232049\n-0.199614 5.921052 0.826085\n4.181084 1.670383 11.925923\nSb O\n8 16\ndirect\n0.621421 0.808686 0.396249 Sb\n0.378794 0.691326 0.103747 Sb\n0.379557 0.191483 0.603649 Sb\n0.620236 0.308495 0.896363 Sb\n0.000525 0.500080 0.499934 Sb\n-0.000523 -0.000082 0.000065 Sb\n0.000522 0.000074 0.499928 Sb\n-0.000514 0.499926 0.000070 Sb\n0.304308 0.005134 0.005952 O\n0.305541 0.505409 0.505663 O\n0.314141 0.502339 -0.001563 O\n0.315383 0.002589 0.498134 O\n0.694687 -0.005305 -0.005848 O\n0.695473 0.494757 0.494227 O\n0.825181 0.172088 0.141111 O\n0.173102 0.327793 0.856958 O\n0.173802 0.827756 0.859004 O\n-0.173623 0.672253 0.640993 O\n0.685642 -0.002423 0.501738 O\n-0.172801 0.172206 0.643039 O\n0.825883 0.672068 0.143166 O\n0.173804 0.827927 0.356841 O\n0.174612 0.327899 0.358888 O\n0.684844 0.497525 0.001687 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.529016373976376,
"density_atomic": 0.06496509119465767,
"volume": 369.429174325143,
"volume_molar": 9.269810369319123,
"formula_full": "Sb8 O16",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4376877000000006,
"spacegroup": 2
}
]
}