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"results": [
{
"id": "jvasp-60643",
"created_at": "2022-09-04T14:36:58.662526Z",
"updated_at": "2022-09-04T14:36:58.662554Z",
"structure_string": "Bi4 As4 O16\n1.0\n0.000000 6.824799 0.025099\n7.215868 0.000000 0.000000\n0.000000 -5.007263 -6.715303\nBi As O\n4 4 16\ndirect\n0.195888 0.637814 0.779405 Bi\n0.804113 0.137814 0.720594 Bi\n0.804113 0.362187 0.220594 Bi\n0.195887 0.862187 0.279405 Bi\n0.686813 0.661562 0.799013 As\n0.313188 0.161561 0.700986 As\n0.313187 0.338439 0.200986 As\n0.686813 0.838439 0.299013 As\n0.127408 0.145171 0.108523 O\n0.872593 0.645171 0.391476 O\n0.837703 0.497933 0.762890 O\n0.162297 -0.002067 0.737109 O\n0.162297 0.502068 0.237110 O\n0.837703 0.002067 0.262890 O\n0.638869 0.895681 0.475653 O\n0.384576 0.792500 0.107600 O\n0.361131 0.104319 0.524346 O\n0.638869 0.604320 0.975653 O\n0.127408 0.354829 0.608523 O\n0.615424 0.292500 0.392400 O\n0.615424 0.207500 0.892399 O\n0.384577 0.707500 0.607600 O\n0.361131 0.395681 0.024347 O\n0.872593 0.854829 0.891476 O\n",
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{
"id": "jvasp-32238",
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"updated_at": "2022-09-04T14:36:58.680997Z",
"structure_string": "Ge2 Br4 F20\n1.0\n5.064914 0.033147 0.000000\n-2.171043 5.952948 0.000000\n0.000000 0.000000 12.835476\nGe Br F\n2 4 20\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.349149 0.657145 0.138067 Br\n0.150852 0.842856 0.638068 Br\n0.650851 0.342856 0.861933 Br\n0.849148 0.157145 0.361933 Br\n0.072977 0.082583 0.681891 F\n0.427023 0.417417 0.181891 F\n0.536405 0.083304 0.286176 F\n0.963594 0.416697 0.786176 F\n0.463595 0.916697 0.713824 F\n0.036406 0.583304 0.213824 F\n0.377308 0.646954 0.404817 F\n0.122693 0.853047 0.904817 F\n0.622693 0.353047 0.595183 F\n0.744017 0.042599 0.903396 F\n0.755982 0.457402 0.403396 F\n0.572978 0.582584 0.818109 F\n0.244018 0.542599 0.596604 F\n0.255983 0.957402 0.096604 F\n0.230883 0.226333 0.459494 F\n0.269118 0.273667 0.959494 F\n0.769118 0.773667 0.540506 F\n0.730883 0.726334 0.040506 F\n0.877307 0.146954 0.095183 F\n0.927023 0.917418 0.318109 F\n",
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"elements": [
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"formula_full": "Ge2 Br4 F20",
"formula_reduced": "Ge(BrF5)2",
"formula_anonymous": "AB2C10",
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{
"id": "jvasp-13421",
"created_at": "2022-09-04T14:36:59.057565Z",
"updated_at": "2022-09-04T14:36:59.057593Z",
"structure_string": "Pt2 S4 Cl16\n1.0\n0.000000 6.223875 -0.069933\n7.127005 0.000000 0.000000\n0.000000 -2.044794 -12.170257\nPt S Cl\n2 4 16\ndirect\n0.000000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.700369 0.788127 0.978969 S\n0.700369 0.711872 0.478969 S\n0.299630 0.211873 0.021031 S\n0.299631 0.288127 0.521031 S\n0.256872 0.664198 0.624567 Cl\n0.743128 0.164198 0.875433 Cl\n0.743128 0.335801 0.375433 Cl\n0.256872 0.835801 0.124567 Cl\n0.298098 0.159126 0.666866 Cl\n0.701902 0.659126 0.833134 Cl\n0.701902 0.840873 0.333134 Cl\n0.219452 0.074866 0.413287 Cl\n0.780548 0.574866 0.086713 Cl\n0.171579 0.894621 0.854213 Cl\n0.219452 0.425133 0.913287 Cl\n0.780548 0.925133 0.586713 Cl\n0.828421 0.105379 0.145787 Cl\n0.171579 0.605378 0.354213 Cl\n0.298098 0.340874 0.166866 Cl\n0.828421 0.394621 0.645787 Cl\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.333208983040695,
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"volume": 540.8624004203372,
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{
"id": "jvasp-13003",
"created_at": "2022-09-04T14:36:59.174874Z",
"updated_at": "2022-09-04T14:36:59.174896Z",
"structure_string": "In4 Te4 Br4\n1.0\n0.000000 7.359307 0.166094\n7.652814 0.000000 0.000000\n0.000000 -3.851957 -7.598106\nIn Te Br\n4 4 4\ndirect\n0.977251 0.700797 0.117005 In\n0.022749 0.200797 0.382996 In\n0.022749 0.299203 0.882996 In\n0.977251 0.799203 0.617005 In\n0.225183 0.869622 0.444199 Te\n0.774818 0.369623 0.055802 Te\n0.774817 0.130377 0.555802 Te\n0.225183 0.630377 0.944199 Te\n0.678562 0.903687 0.912473 Br\n0.321439 0.403687 0.587529 Br\n0.321439 0.096313 0.087528 Br\n0.678562 0.596313 0.412472 Br\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.060965238156297,
"density_atomic": 0.028367140675637996,
"volume": 423.0246586081102,
"volume_molar": 21.229283659074877,
"formula_full": "In4 Te4 Br4",
"formula_reduced": "InTeBr",
"formula_anonymous": "ABC",
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"spacegroup": 14
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{
"id": "jvasp-60657",
"created_at": "2022-09-04T14:36:59.552001Z",
"updated_at": "2022-09-04T14:36:59.552026Z",
"structure_string": "In4 Te4 I4\n1.0\n0.000000 8.536890 -0.132754\n7.783654 0.000000 0.000000\n0.000000 -3.809828 -7.067956\nIn Te I\n4 4 4\ndirect\n0.612158 0.803085 0.968528 In\n0.887841 0.303085 0.031471 In\n0.387841 0.196914 0.031472 In\n0.112158 0.696914 0.968529 In\n0.936958 0.637670 0.197839 Te\n0.563041 0.137670 0.802161 Te\n0.063041 0.362330 0.802161 Te\n0.436959 0.862330 0.197839 Te\n0.395712 0.605352 0.660842 I\n0.104287 0.105353 0.339158 I\n0.604287 0.394647 0.339158 I\n0.895712 0.894647 0.660842 I\n",
"nsites": 12,
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"density": 5.179795240687807,
"density_atomic": 0.025338390099724915,
"volume": 473.58967766978526,
"volume_molar": 23.76686417842063,
"formula_full": "In4 Te4 I4",
"formula_reduced": "InTeI",
"formula_anonymous": "ABC",
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"spacegroup": 14
},
{
"id": "jvasp-60667",
"created_at": "2022-09-04T14:36:59.953735Z",
"updated_at": "2022-09-04T14:36:59.953757Z",
"structure_string": "Cu4 Te8 Cl4\n1.0\n0.000000 8.245219 0.000117\n5.040777 0.000000 0.000000\n0.000000 -5.582873 -10.779231\nCu Te Cl\n4 8 4\ndirect\n0.827718 0.856894 0.252139 Cu\n0.172283 0.356894 0.247861 Cu\n0.172283 0.143107 0.747861 Cu\n0.827718 0.643107 0.752139 Cu\n0.581658 0.209173 0.139269 Te\n0.418342 0.709174 0.360730 Te\n0.418342 0.790827 0.860730 Te\n0.581658 0.290827 0.639269 Te\n0.264833 0.009767 0.133377 Te\n0.735167 0.509768 0.366623 Te\n0.735167 0.990233 0.866623 Te\n0.264833 0.490233 0.633377 Te\n0.089775 0.104905 0.378764 Cl\n0.910225 0.604905 0.121236 Cl\n0.910225 0.895096 0.621236 Cl\n0.089775 0.395096 0.878764 Cl\n",
"nsites": 16,
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"elements": [
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"Te",
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],
"chemical_system": "Cl-Cu-Te",
"density": 5.251364355174458,
"density_atomic": 0.03571377145597358,
"volume": 448.00645094915615,
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"formula_full": "Cu4 Te8 Cl4",
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{
"id": "jvasp-58166",
"created_at": "2022-09-04T14:37:05.838004Z",
"updated_at": "2022-09-04T14:37:05.838024Z",
"structure_string": "Ti2 Zn4 Ir2 O12\n1.0\n0.000000 5.216214 0.002027\n5.226876 0.000000 0.000000\n0.000000 -5.178035 -7.630239\nTi Zn Ir O\n2 4 2 12\ndirect\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.259828 0.970313 0.251027 Zn\n0.740171 0.470313 0.248973 Zn\n0.259827 0.529688 0.751027 Zn\n0.740170 0.029687 0.748973 Zn\n0.499999 0.500000 0.500000 Ir\n0.499999 0.000000 -0.000000 Ir\n0.105812 0.819479 0.934365 O\n0.262913 0.327309 0.939761 O\n0.894186 0.319479 0.565635 O\n0.634053 0.081497 0.250492 O\n0.365945 0.918504 0.749507 O\n0.894186 0.180521 0.065635 O\n0.737085 0.672692 0.060239 O\n0.262914 0.172691 0.439761 O\n0.737084 0.827310 0.560239 O\n0.634052 0.418504 0.750492 O\n0.105812 0.680522 0.434365 O\n0.365946 0.581497 0.249507 O\n",
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"density": 7.455560216247226,
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"volume": 207.979819314848,
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"formula_full": "Ti2 Zn4 Ir2 O12",
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{
"id": "jvasp-55640",
"created_at": "2022-09-04T14:36:59.788860Z",
"updated_at": "2022-09-04T14:36:59.788875Z",
"structure_string": "Bi4 P4 O16\n1.0\n0.000000 6.627068 -0.088282\n6.763853 0.000000 0.000000\n0.000000 -5.103089 -7.095070\nBi P O\n4 4 16\ndirect\n0.702108 0.615602 0.263461 Bi\n0.297892 0.115603 0.236539 Bi\n0.297892 0.384397 0.736539 Bi\n0.702108 0.884397 0.763461 Bi\n0.095144 0.637649 0.221917 P\n0.904856 0.137650 0.278082 P\n0.904856 0.362350 0.778082 P\n0.095144 0.862350 0.721917 P\n0.949024 0.179036 0.904873 O\n0.050976 0.679036 0.595127 O\n0.230182 0.469565 0.195072 O\n0.769818 0.969564 0.304928 O\n0.769818 0.530435 0.804928 O\n0.230182 0.030435 0.695072 O\n0.515127 0.812222 0.438704 O\n0.298643 0.775180 0.934255 O\n0.484873 0.187778 0.561296 O\n0.515127 0.687777 0.938704 O\n0.949024 0.320963 0.404873 O\n0.701357 0.275180 0.565745 O\n0.701357 0.224819 0.065745 O\n0.298643 0.724819 0.434255 O\n0.484873 0.312222 0.061296 O\n0.050976 0.820963 0.095127 O\n",
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{
"id": "jvasp-55519",
"created_at": "2022-09-04T14:37:00.386708Z",
"updated_at": "2022-09-04T14:37:00.386735Z",
"structure_string": "Pb8 O12\n1.0\n0.000000 7.645732 -0.014315\n5.739976 0.000000 0.000000\n0.000000 -3.069208 -7.256972\nPb O\n8 12\ndirect\n0.091354 0.754229 0.116987 Pb\n0.908646 0.254229 0.383013 Pb\n0.908646 0.245772 0.883013 Pb\n0.091354 0.745772 0.616987 Pb\n0.612584 0.741365 0.140539 Pb\n0.387416 0.241364 0.359461 Pb\n0.387416 0.258636 0.859461 Pb\n0.612583 0.758637 0.640539 Pb\n0.073009 0.937204 0.361608 O\n0.926990 0.437203 0.138393 O\n0.809024 0.593883 0.450537 O\n0.190975 0.093883 0.049464 O\n0.190975 0.406117 0.549464 O\n0.627559 0.128178 0.229757 O\n0.372441 0.871823 0.770244 O\n0.627558 0.371822 0.729757 O\n0.073009 0.562797 0.861608 O\n0.372441 0.628178 0.270244 O\n0.809024 0.906118 0.950536 O\n0.926990 0.062797 0.638392 O\n",
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"formula_full": "Pb8 O12",
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},
{
"id": "jvasp-19106",
"created_at": "2022-09-04T14:37:00.283514Z",
"updated_at": "2022-09-04T14:37:00.283539Z",
"structure_string": "Sn4 P4 S12\n1.0\n0.000000 6.622364 -0.005029\n7.462293 0.000000 0.000000\n0.000000 -6.373421 -9.360468\nSn P S\n4 4 12\ndirect\n0.266433 0.626128 0.229431 Sn\n0.733567 0.126129 0.270569 Sn\n0.733567 0.373871 0.770569 Sn\n0.266433 0.873871 0.729431 Sn\n0.628967 0.610094 0.068369 P\n0.371033 0.110094 0.431632 P\n0.371033 0.389905 0.931632 P\n0.628967 0.889905 0.568369 P\n0.592683 0.305684 0.439365 S\n0.407317 0.805684 0.060635 S\n0.789296 0.806723 0.466418 S\n0.210704 0.306723 0.033582 S\n0.210704 0.193276 0.533582 S\n0.127921 0.001863 0.235868 S\n0.872079 -0.001863 0.764132 S\n0.127921 0.498136 0.735868 S\n0.592683 0.194316 0.939365 S\n0.872079 0.501863 0.264132 S\n0.789296 0.693276 0.966418 S\n0.407317 0.694315 0.560635 S\n",
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"elements": [
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"density": 3.528764685978079,
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"volume": 462.8149806311906,
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},
{
"id": "jvasp-50417",
"created_at": "2022-09-04T14:37:00.627937Z",
"updated_at": "2022-09-04T14:37:00.627966Z",
"structure_string": "Pr4 Bi4 O16\n1.0\n5.708941 -0.006065 -0.001180\n0.008833 7.952255 -0.061751\n0.002831 1.084754 7.953677\nPr Bi O\n4 4 16\ndirect\n0.732351 0.637333 0.607502 Pr\n0.767668 0.637368 0.107494 Pr\n0.232331 0.362633 0.892506 Pr\n0.267648 0.362668 0.392498 Pr\n0.226949 0.839437 0.816354 Bi\n0.273066 0.839442 0.316366 Bi\n0.726933 0.160558 0.683635 Bi\n0.773050 0.160563 0.183646 Bi\n0.400392 0.078174 0.817135 O\n0.506757 0.342015 0.120019 O\n0.892015 0.169353 0.928373 O\n0.993194 0.342021 0.620007 O\n0.993714 0.385927 0.164433 O\n0.493765 0.614078 0.335569 O\n0.506234 0.385922 0.664431 O\n0.493242 0.657986 0.879982 O\n0.006805 0.657979 0.379993 O\n0.107984 0.830647 0.071628 O\n0.607953 0.169339 0.428375 O\n0.599607 0.921827 0.182866 O\n0.392046 0.830661 0.571625 O\n0.900392 0.921814 0.682876 O\n0.006285 0.614074 0.835567 O\n0.099607 0.078187 0.317124 O\n",
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"density": 7.60528383144554,
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"formula_full": "Pr4 Bi4 O16",
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},
{
"id": "jvasp-45323",
"created_at": "2022-09-04T14:37:00.548953Z",
"updated_at": "2022-09-04T14:37:00.548975Z",
"structure_string": "Cd4 S4 O12\n1.0\n0.000000 4.478704 0.096236\n8.760013 0.000000 0.000000\n0.000000 -0.287028 -7.235833\nCd S O\n4 4 12\ndirect\n0.766554 0.707010 0.516081 Cd\n0.233445 0.207010 0.983918 Cd\n0.233445 0.292989 0.483918 Cd\n0.766554 0.792989 0.016081 Cd\n0.261006 0.575247 0.790248 S\n0.738992 0.075247 0.709751 S\n0.738993 0.424753 0.209751 S\n0.261006 0.924753 0.290248 S\n0.711491 0.367470 0.411993 O\n0.288508 0.867470 0.088006 O\n0.926382 0.896073 0.315404 O\n0.073617 0.396073 0.184595 O\n0.073617 0.103927 0.684595 O\n0.292517 0.400425 0.769859 O\n0.707481 0.599574 0.230140 O\n0.292518 0.099574 0.269860 O\n0.711491 0.132529 0.911993 O\n0.707481 0.900425 0.730139 O\n0.926381 0.603926 0.815404 O\n0.288508 0.632529 0.588006 O\n",
"nsites": 20,
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],
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"density": 4.507194472194018,
"density_atomic": 0.070510643903511,
"volume": 283.6451192726113,
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"formula_full": "Cd4 S4 O12",
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"formula_anonymous": "ABC3",
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"spacegroup": 14
}
]
}