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{
"id": "mp-1214376",
"created_at": "2022-09-04T14:48:30.570156Z",
"structure_string": "Bi2 H10 N6 O18\n1.0\n6.832990 0.000000 0.000000\n2.556176 8.455349 0.000000\n1.472082 0.487779 10.752103\nBi H N O\n2 10 6 18\ndirect\n0.307833 0.295486 0.310794 Bi\n0.692167 0.704514 0.689206 Bi\n0.075758 0.473920 0.336332 H\n0.924242 0.526080 0.663668 H\n0.682234 0.179593 0.079099 H\n0.317766 0.820407 0.920901 H\n0.725740 0.215288 0.451540 H\n0.274260 0.784712 0.548460 H\n0.125529 0.205826 0.910376 H\n0.874471 0.794174 0.089624 H\n0.131547 0.418633 0.123543 H\n0.868453 0.581367 0.876457 H\n0.295510 0.187546 0.566587 N\n0.704490 0.812454 0.433413 N\n0.145832 0.079896 0.196499 N\n0.854168 0.920104 0.803501 N\n0.499897 0.583458 0.203177 N\n0.500103 0.416542 0.796823 N\n0.034486 0.196540 0.264898 O\n0.965514 0.803460 0.735102 O\n0.293890 0.332768 0.536802 O\n0.706110 0.667232 0.463198 O\n0.600245 0.661267 0.136204 O\n0.399755 0.338733 0.863796 O\n0.573255 0.429832 0.207792 O\n0.426745 0.570168 0.792208 O\n0.331303 0.644940 0.265948 O\n0.668697 0.355060 0.734052 O\n0.279966 0.105165 0.474859 O\n0.720034 0.894835 0.525141 O\n0.072336 0.982171 0.162617 O\n0.927664 0.017829 0.837383 O\n0.311050 0.128252 0.671456 O\n0.688950 0.871748 0.328544 O\n0.336745 0.075619 0.167235 O\n0.663255 0.924381 0.832765 O\n",
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{
"id": "mp-1183680",
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"structure_string": "Co1 W3\n1.0\n3.907351 0.000000 0.000000\n0.000000 3.907351 0.000000\n0.000000 0.000000 3.907351\nCo W\n1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.500000 0.500000 0.000000 W\n",
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"updated_at": "2021-11-28T01:39:48.036000Z",
"spacegroup": 221
},
{
"id": "mp-1193219",
"created_at": "2022-09-04T14:48:30.576278Z",
"structure_string": "Fe4 Mo8 S16\n1.0\n3.245033 5.923911 0.000000\n-3.245033 5.923911 0.000000\n0.000000 5.556598 11.764501\nFe Mo S\n4 8 16\ndirect\n0.535059 0.281263 0.450308 Fe\n0.281263 0.535059 0.950308 Fe\n0.800578 0.038580 0.948707 Fe\n0.038580 0.800578 0.448707 Fe\n0.869331 0.652036 0.706104 Mo\n0.652036 0.869331 0.206104 Mo\n0.462323 0.670250 0.692971 Mo\n0.670250 0.462323 0.192971 Mo\n0.932318 0.214987 0.689670 Mo\n0.214987 0.932318 0.189670 Mo\n0.400244 0.107746 0.707305 Mo\n0.107746 0.400244 0.207305 Mo\n0.824017 0.579746 0.550179 S\n0.579746 0.824017 0.050179 S\n0.506645 0.745280 0.848226 S\n0.745280 0.506645 0.348226 S\n0.030280 0.782031 0.807540 S\n0.782031 0.030280 0.307540 S\n0.302171 0.539980 0.590686 S\n0.539980 0.302171 0.090686 S\n0.531355 0.263439 0.815654 S\n0.263439 0.531355 0.315654 S\n0.801254 0.059350 0.583553 S\n0.059350 0.801254 0.083553 S\n0.316457 0.056340 0.559507 S\n0.056340 0.316457 0.059507 S\n0.015781 0.265158 0.838589 S\n0.265158 0.015781 0.338589 S\n",
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"formula_full": "Fe4 Mo8 S16",
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},
{
"id": "mp-754678",
"created_at": "2022-09-04T14:48:30.580968Z",
"structure_string": "Ba1 Ta1 O3\n1.0\n4.130846 0.000000 0.000000\n0.000000 4.130846 0.000000\n0.000000 0.000000 4.130846\nBa Ta O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ta\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"volume": 70.48829628052674,
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"formula_full": "Ba1 Ta1 O3",
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"spacegroup": 221
},
{
"id": "mp-558124",
"created_at": "2022-09-04T14:48:30.587391Z",
"structure_string": "K8 Mo4 S8 O40\n1.0\n12.760451 0.000000 0.000000\n0.000000 9.104792 0.000000\n0.000000 3.479803 8.476729\nK Mo S O\n8 4 8 40\ndirect\n0.015883 0.199522 0.195536 K\n0.880459 0.294145 0.678231 K\n0.984117 0.800478 0.804464 K\n0.484117 0.699522 0.195536 K\n0.119541 0.705855 0.321769 K\n0.619541 0.794145 0.678231 K\n0.515883 0.300478 0.804464 K\n0.380459 0.205855 0.321769 K\n0.332452 0.846247 0.778418 Mo\n0.167548 0.346247 0.778418 Mo\n0.667548 0.153753 0.221582 Mo\n0.832452 0.653753 0.221582 Mo\n0.799867 0.472992 0.963294 S\n0.299867 0.027008 0.036706 S\n0.642123 0.373873 0.430896 S\n0.700133 0.972992 0.963294 S\n0.200133 0.527008 0.036706 S\n0.142123 0.126127 0.569104 S\n0.857877 0.873873 0.430896 S\n0.357877 0.626127 0.569104 S\n0.602803 0.981146 0.336072 O\n0.181132 0.139606 0.415134 O\n0.704770 0.825145 0.111312 O\n0.933325 0.786914 0.139964 O\n0.795230 0.325145 0.111312 O\n0.191695 0.268587 0.600039 O\n0.528057 0.365694 0.422183 O\n0.808305 0.731413 0.399961 O\n0.604366 0.970823 0.876459 O\n0.295230 0.174855 0.888688 O\n0.179395 0.976178 0.698898 O\n0.296140 0.499127 0.128610 O\n0.820605 0.023822 0.301102 O\n0.812910 0.612728 0.020445 O\n0.028057 0.134306 0.577817 O\n0.471943 0.634306 0.577817 O\n0.312910 0.887272 0.979555 O\n0.203860 0.999127 0.128610 O\n0.895634 0.470823 0.876459 O\n0.687090 0.112728 0.020445 O\n0.691695 0.231413 0.399961 O\n0.066675 0.213086 0.860036 O\n0.971943 0.865694 0.422183 O\n0.796140 0.000873 0.871390 O\n0.308305 0.768587 0.600039 O\n0.397197 0.018854 0.663928 O\n0.897197 0.481146 0.336072 O\n0.320605 0.476178 0.698898 O\n0.395634 0.029177 0.123541 O\n0.679395 0.523822 0.301102 O\n0.102803 0.518854 0.663928 O\n0.204770 0.674855 0.888688 O\n0.433325 0.713086 0.860036 O\n0.818868 0.860394 0.584866 O\n0.318868 0.639606 0.415134 O\n0.187090 0.387272 0.979555 O\n0.681132 0.360394 0.584866 O\n0.104366 0.529177 0.123541 O\n0.703860 0.500873 0.871390 O\n0.566675 0.286914 0.139964 O\n",
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"elements": [
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],
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"density": 2.686037555280334,
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"formula_full": "K8 Mo4 S8 O40",
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},
{
"id": "mp-541483",
"created_at": "2022-09-04T14:48:30.587944Z",
"structure_string": "Rb6 Sc2 H12 O12\n1.0\n5.132763 -5.780933 0.000000\n5.132763 5.780933 0.000000\n-1.378191 0.000000 7.606907\nRb Sc H O\n6 2 12 12\ndirect\n0.867156 0.632844 0.250000 Rb\n0.632844 0.250000 0.867156 Rb\n0.250000 0.867156 0.632844 Rb\n0.132844 0.367156 0.750000 Rb\n0.367156 0.750000 0.132844 Rb\n0.750000 0.132844 0.367156 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.424020 0.376621 0.161841 H\n0.376621 0.161841 0.424020 H\n0.161841 0.424020 0.376621 H\n0.123379 0.075980 0.338159 H\n0.075980 0.338159 0.123379 H\n0.338159 0.123379 0.075980 H\n0.575980 0.623379 0.838159 H\n0.623379 0.838159 0.575980 H\n0.838159 0.575980 0.623379 H\n0.876621 0.924020 0.661841 H\n0.924020 0.661841 0.876621 H\n0.661841 0.876621 0.924020 H\n0.537817 0.409530 0.233863 O\n0.409530 0.233863 0.537817 O\n0.233863 0.537817 0.409530 O\n0.090470 0.962183 0.266137 O\n0.962183 0.266137 0.090470 O\n0.266137 0.090470 0.962183 O\n0.462183 0.590470 0.766137 O\n0.590470 0.766137 0.462183 O\n0.766137 0.462183 0.590470 O\n0.909530 0.037817 0.733863 O\n0.037817 0.733863 0.909530 O\n0.733863 0.909530 0.037817 O\n",
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"formula_full": "Rb6 Sc2 H12 O12",
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{
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"structure_string": "Cd2 Sn2 O6\n1.0\n2.378118 0.027657 6.268441\n-5.201606 4.923300 4.557512\n-2.600780 -1.970954 -0.822580\nCd Sn O\n2 2 6\ndirect\n0.294498 0.663557 0.047630 Cd\n0.705502 0.336443 0.952370 Cd\n0.669068 0.830978 0.922242 Sn\n0.330932 0.169022 0.077758 Sn\n0.898263 0.781612 0.653158 O\n0.597852 0.088530 0.848325 O\n0.424243 0.380745 0.170050 O\n0.101737 0.218388 0.346842 O\n0.402148 0.911470 0.151675 O\n0.575757 0.619255 0.829950 O\n",
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"formula_full": "Cd2 Sn2 O6",
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},
{
"id": "mp-1207528",
"created_at": "2022-09-04T14:48:30.589117Z",
"structure_string": "Zn14 H20 C4 O32\n1.0\n2.764514 7.605563 0.000000\n-2.764514 7.605563 0.000000\n0.000000 1.633740 16.119973\nZn H C O\n14 20 4 32\ndirect\n0.574837 0.027139 0.685778 Zn\n0.425163 0.972861 0.314222 Zn\n0.972861 0.425163 0.814222 Zn\n0.027139 0.574837 0.185778 Zn\n0.474631 0.961067 0.909711 Zn\n0.525369 0.038933 0.090289 Zn\n0.038933 0.525369 0.590289 Zn\n0.961067 0.474631 0.409711 Zn\n0.385035 0.895911 0.537961 Zn\n0.614965 0.104089 0.462039 Zn\n0.104089 0.614965 0.962039 Zn\n0.895911 0.385035 0.037961 Zn\n0.780661 0.219339 0.750000 Zn\n0.219339 0.780661 0.250000 Zn\n0.910537 0.925138 0.571678 H\n0.089463 0.074862 0.428322 H\n0.074862 0.089463 0.928322 H\n0.925138 0.910537 0.071678 H\n0.543179 0.209682 0.945436 H\n0.456821 0.790318 0.054564 H\n0.790318 0.456821 0.554564 H\n0.209682 0.543179 0.445436 H\n0.383284 0.287400 0.812870 H\n0.616716 0.712600 0.187130 H\n0.712600 0.616716 0.687130 H\n0.287400 0.383284 0.312870 H\n0.202091 0.129067 0.668637 H\n0.797909 0.870933 0.331363 H\n0.870933 0.797909 0.831363 H\n0.129067 0.202091 0.168637 H\n0.218407 0.975492 0.785359 H\n0.781593 0.024508 0.214641 H\n0.024508 0.781593 0.714641 H\n0.975492 0.218407 0.285359 H\n0.391706 0.562591 0.624695 C\n0.608294 0.437409 0.375305 C\n0.437409 0.608294 0.875305 C\n0.562591 0.391706 0.124695 C\n0.537937 0.397728 0.848385 O\n0.462063 0.602272 0.151615 O\n0.602272 0.462063 0.651615 O\n0.397728 0.537937 0.348385 O\n0.862909 0.924954 0.745016 O\n0.137091 0.075046 0.254984 O\n0.075046 0.137091 0.754984 O\n0.924954 0.862909 0.245016 O\n0.789129 0.925564 0.568430 O\n0.210871 0.074436 0.431570 O\n0.074436 0.210871 0.931570 O\n0.925564 0.789129 0.068430 O\n0.363879 0.187958 0.799034 O\n0.636121 0.812042 0.200966 O\n0.812042 0.636121 0.700966 O\n0.187958 0.363879 0.299034 O\n0.291513 0.128801 0.620316 O\n0.708487 0.871199 0.379684 O\n0.871199 0.708487 0.879684 O\n0.128801 0.291513 0.120316 O\n0.584449 0.768498 0.025791 O\n0.415551 0.231502 0.974209 O\n0.231502 0.415551 0.474209 O\n0.768498 0.584449 0.525791 O\n0.531455 0.681670 0.850514 O\n0.468545 0.318330 0.149486 O\n0.318330 0.468545 0.649486 O\n0.681670 0.531455 0.350514 O\n0.253041 0.762904 0.574284 O\n0.746959 0.237096 0.425716 O\n0.237096 0.746959 0.925716 O\n0.762904 0.253041 0.074284 O\n",
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"formula_full": "Zn14 H20 C4 O32",
"formula_reduced": "Zn7H10(CO8)2",
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{
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