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{
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{
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"structure_string": "Mn4 Te4 O12\n1.0\n5.587307 0.000000 0.000000\n0.000000 5.746398 0.000000\n0.000000 0.000000 8.227003\nMn Te O\n4 4 12\ndirect\n0.005165 0.455615 0.250000 Mn\n0.994835 0.544385 0.750000 Mn\n0.505165 0.044385 0.750000 Mn\n0.494835 0.955615 0.250000 Mn\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.500000 Te\n0.325330 0.179512 0.074410 O\n0.674670 0.820488 0.925590 O\n0.825330 0.320488 0.925590 O\n0.674670 0.820488 0.574410 O\n0.174670 0.679512 0.074410 O\n0.325330 0.179512 0.425590 O\n0.174670 0.679512 0.425590 O\n0.825330 0.320488 0.574410 O\n0.640904 0.594746 0.250000 O\n0.359096 0.405254 0.750000 O\n0.140904 0.905254 0.750000 O\n0.859096 0.094746 0.250000 O\n",
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{
"id": "mp-1247116",
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"structure_string": "In16 Te12 N8\n1.0\n6.904716 0.000000 -0.000000\n0.000000 12.241314 0.000000\n0.000000 0.000000 11.617224\nIn Te N\n16 12 8\ndirect\n0.740883 0.250000 0.946829 In\n0.240883 0.250000 0.553171 In\n0.259117 0.750000 0.053171 In\n0.759117 0.750000 0.446829 In\n0.876192 0.250000 0.389722 In\n0.376192 0.250000 0.110278 In\n0.123808 0.750000 0.610278 In\n0.623808 0.750000 0.889722 In\n0.635411 0.523736 0.106369 In\n0.135411 0.976264 0.393631 In\n0.364589 0.023736 0.893631 In\n0.864589 0.476264 0.606369 In\n0.364589 0.476264 0.893631 In\n0.864589 0.023736 0.606369 In\n0.635411 0.976264 0.106369 In\n0.135411 0.523736 0.393631 In\n0.982215 0.250000 0.152468 Te\n0.482215 0.250000 0.347532 Te\n0.017785 0.750000 0.847532 Te\n0.517785 0.750000 0.652468 Te\n0.543498 0.557653 0.346296 Te\n0.043498 0.942347 0.153704 Te\n0.456502 0.057653 0.653704 Te\n0.956502 0.442347 0.846296 Te\n0.456502 0.442347 0.653704 Te\n0.956502 0.057653 0.846296 Te\n0.543498 0.942347 0.346296 Te\n0.043498 0.557653 0.153704 Te\n0.470975 0.624172 0.984240 N\n0.970975 0.875828 0.515760 N\n0.529025 0.124172 0.015760 N\n0.029025 0.375828 0.484240 N\n0.529025 0.375828 0.015760 N\n0.029025 0.124172 0.484240 N\n0.470975 0.875828 0.984240 N\n0.970975 0.624172 0.515760 N\n",
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{
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"created_at": "2022-09-04T14:40:18.669109Z",
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{
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"structure_string": "Na1 Y1 Sn1 W1 O6\n1.0\n0.000000 -4.173270 -4.173270\n4.173270 -0.000000 -4.173270\n4.173270 -4.173270 -0.000000\nNa Y Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Sn\n0.000000 0.000000 0.000000 W\n0.766872 0.233128 0.233128 O\n0.233128 0.766872 0.766872 O\n0.766872 0.233128 0.766872 O\n0.233128 0.766872 0.233128 O\n0.766872 0.766872 0.233128 O\n0.233128 0.233128 0.766872 O\n",
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{
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{
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{
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"elements": [
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],
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"formula_full": "Li4 Ti3 Cr3 Sb2 O16",
"formula_reduced": "Li4Ti3Cr3(SbO8)2",
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"updated_at": "2021-11-28T01:34:48.855000Z",
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{
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"structure_string": "Nd4 Mo31 O56\n1.0\n11.736151 -0.315887 11.630526\n5.076892 8.052766 5.042917\n-0.817965 -0.145517 12.441995\nNd Mo O\n4 31 56\ndirect\n0.300895 0.980474 0.495029 Nd\n0.553775 0.473525 0.988923 Nd\n0.798761 0.980706 0.507748 Nd\n0.032918 0.443404 0.014454 Nd\n0.007200 0.010745 0.141162 Mo\n0.024788 0.117357 0.372431 Mo\n0.250682 0.246745 0.147555 Mo\n0.141318 0.621763 0.132206 Mo\n0.015207 0.229667 0.871428 Mo\n0.502353 0.008284 0.143779 Mo\n0.001980 0.599784 0.651783 Mo\n0.255661 0.373597 0.375272 Mo\n0.155499 0.739139 0.353767 Mo\n0.256074 0.333510 0.644800 Mo\n0.526469 0.119769 0.371246 Mo\n0.130220 0.735902 0.628075 Mo\n0.410100 0.505767 0.348769 Mo\n0.385993 0.865442 0.133611 Mo\n0.400503 0.099059 0.856626 Mo\n0.390453 0.459167 0.635569 Mo\n0.756251 0.258247 0.140372 Mo\n0.151552 0.834100 0.855578 Mo\n0.510462 0.238136 0.875189 Mo\n0.506360 0.599281 0.642144 Mo\n0.277896 0.958332 0.869353 Mo\n0.765367 0.368895 0.368925 Mo\n0.656928 0.742374 0.337189 Mo\n0.754731 0.333167 0.644689 Mo\n0.635115 0.740684 0.621478 Mo\n0.898406 0.510026 0.357741 Mo\n0.883323 0.874824 0.129994 Mo\n0.905348 0.094660 0.851822 Mo\n0.893641 0.457177 0.632339 Mo\n0.649723 0.817068 0.869576 Mo\n0.769797 0.963479 0.874468 Mo\n0.082344 0.166118 0.990991 O\n0.221444 0.276625 -0.000064 O\n0.207412 0.075556 0.242369 O\n0.079922 0.457962 0.248910 O\n0.316574 0.392904 0.034152 O\n0.075496 0.426103 0.532398 O\n0.303709 0.188842 0.289742 O\n0.188182 0.813069 0.000796 O\n0.201205 0.015549 0.747204 O\n0.208129 0.561689 0.255479 O\n0.059128 0.409626 0.786795 O\n0.072918 0.954558 0.260933 O\n0.328186 0.179927 0.494049 O\n0.578191 0.161685 0.001806 O\n0.435677 0.343289 0.267819 O\n0.098894 0.892990 0.482910 O\n0.336825 0.125215 0.747584 O\n0.353624 0.677386 0.206587 O\n0.194929 0.518778 0.748337 O\n0.733447 0.276763 0.991371 O\n0.438397 0.312835 0.498832 O\n0.091022 0.908817 0.718266 O\n0.067498 0.693905 0.006412 O\n0.711158 0.081129 0.242922 O\n0.320941 0.650258 0.502709 O\n0.576668 0.461359 0.218091 O\n0.453557 0.257273 0.754686 O\n0.416175 0.868306 0.262119 O\n0.333186 0.632271 0.745771 O\n0.844955 0.376276 0.021370 O\n0.571189 0.432617 0.532188 O\n0.808575 0.188716 0.282146 O\n0.476932 0.776449 0.496635 O\n0.680772 0.827061 0.992662 O\n0.697348 0.003671 0.755346 O\n0.744969 0.564028 0.232231 O\n0.556225 0.418799 0.787421 O\n0.572526 0.960412 0.257640 O\n0.827840 0.171833 0.502233 O\n0.466101 0.755781 0.745972 O\n0.955146 0.329990 0.249943 O\n0.609695 0.887377 0.469263 O\n0.345714 0.938573 0.979090 O\n0.826347 0.133341 0.758039 O\n0.851844 0.687228 0.207674 O\n0.698500 0.517756 0.746400 O\n0.935861 0.311292 0.501938 O\n0.591604 0.906297 0.728634 O\n0.562816 0.693864 0.986079 O\n0.820307 0.661282 0.510656 O\n0.964315 0.251544 0.750175 O\n0.945095 0.844118 0.248658 O\n0.831992 0.623171 0.754440 O\n0.972633 0.770548 0.509407 O\n0.959779 0.754509 0.754540 O\n0.848736 0.936954 0.977875 O\n",
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"elements": [
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],
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"density_atomic": 0.07144206100432725,
"volume": 1273.7594453565405,
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"formula_full": "Nd4 Mo31 O56",
"formula_reduced": "Nd4Mo31O56",
"formula_anonymous": "A4B31C56",
"energy": -802.1804370599999,
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},
{
"id": "mp-1222581",
"created_at": "2022-09-04T14:40:18.719835Z",
"structure_string": "Li1 Co4 O5\n1.0\n-3.356466 3.356466 2.095063\n3.356466 -3.356466 2.095063\n3.356466 3.356466 -2.095063\nLi Co O\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Li\n0.598538 0.203589 0.802127 Co\n0.203589 0.401462 0.605051 Co\n0.796411 0.598538 0.394949 Co\n0.401462 0.796411 0.197873 Co\n0.691575 0.892372 0.583948 O\n0.308425 0.107628 0.416052 O\n0.892372 0.308425 0.200797 O\n0.500000 0.500000 0.000000 O\n0.107628 0.691575 0.799203 O\n",
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"elements": [
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],
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"density": 5.675278175616337,
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"volume": 94.4107793944576,
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"formula_full": "Li1 Co4 O5",
"formula_reduced": "LiCo4O5",
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"updated_at": "2021-11-28T01:34:55.468000Z",
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]
}