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{
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{
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"structure_string": "Cs4 Cd6 Te8\n1.0\n-3.444504 6.717053 7.892687\n3.444504 -6.717053 7.892687\n3.444504 6.717053 -7.892687\nCs Cd Te\n4 6 8\ndirect\n0.877279 0.731511 0.608790 Cs\n0.377279 0.768489 0.145768 Cs\n0.622721 0.231511 0.854232 Cs\n0.122721 0.268489 0.391210 Cs\n0.978017 0.250000 0.728017 Cd\n0.750000 0.750000 0.000000 Cd\n0.478017 0.750000 0.728017 Cd\n0.521983 0.250000 0.271983 Cd\n0.250000 0.250000 0.000000 Cd\n0.021983 0.750000 0.271983 Cd\n0.273707 0.918254 0.907241 Te\n0.226293 0.133534 0.644547 Te\n0.773707 0.866466 0.355453 Te\n0.011013 0.366466 0.092759 Te\n0.726293 0.081746 0.092759 Te\n0.511013 0.418254 0.644547 Te\n0.488987 0.581746 0.355453 Te\n0.988987 0.633534 0.907241 Te\n",
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{
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{
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{
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"structure_string": "Ca4 Y2 Co2 O10\n1.0\n2.583802 8.984890 0.000000\n-2.583802 8.984890 0.000000\n0.000000 1.608258 5.151394\nCa Y Co O\n4 2 2 10\ndirect\n0.915543 0.890049 0.119347 Ca\n0.607543 0.588907 0.420779 Ca\n0.109951 0.084457 0.880653 Ca\n0.411093 0.392457 0.579221 Ca\n0.731475 0.766730 0.783353 Y\n0.233270 0.268525 0.216647 Y\n0.517630 0.482370 0.000000 Co\n0.017044 0.982956 0.500000 Co\n0.287522 0.213249 0.810248 O\n0.786751 0.712478 0.189752 O\n0.399635 0.350566 0.173679 O\n0.649434 0.600365 0.826321 O\n0.896860 0.842608 0.574155 O\n0.157392 0.103140 0.425845 O\n0.772675 0.250306 0.239379 O\n0.749694 0.227325 0.760621 O\n0.260867 0.718085 0.763264 O\n0.281915 0.739133 0.236736 O\n",
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{
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"spacegroup": 71
},
{
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"created_at": "2022-09-04T14:41:18.387170Z",
"structure_string": "Sr1 Ca3 Co4 O12\n1.0\n7.527350 0.000000 0.000000\n0.000000 7.527350 0.000000\n0.000000 0.000000 3.885421\nSr Ca Co O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.751100 0.248900 0.000000 Co\n0.248900 0.248900 0.000000 Co\n0.751100 0.751100 0.000000 Co\n0.248900 0.751100 0.000000 Co\n0.753906 0.246094 0.500000 O\n0.246094 0.246094 0.500000 O\n0.753906 0.753906 0.500000 O\n0.246094 0.753906 0.500000 O\n0.756625 0.500000 0.000000 O\n0.243375 0.500000 0.000000 O\n0.749658 0.000000 0.000000 O\n0.250342 0.000000 0.000000 O\n0.000000 0.250342 0.000000 O\n0.500000 0.243375 0.000000 O\n0.000000 0.749658 0.000000 O\n0.500000 0.756625 0.000000 O\n",
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"nelements": 4,
"elements": [
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"Co",
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],
"chemical_system": "Ca-Co-O-Sr",
"density": 4.793985654647724,
"density_atomic": 0.09084639384948842,
"volume": 220.15183159757999,
"volume_molar": 6.628926592262212,
"formula_full": "Sr1 Ca3 Co4 O12",
"formula_reduced": "SrCa3(CoO3)4",
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{
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"structure_string": "Li5 Ti2 Fe3 O10\n1.0\n5.194251 0.000000 0.000000\n0.884733 5.140348 0.000000\n2.538693 2.185210 7.173270\nLi Ti Fe O\n5 2 3 10\ndirect\n0.491213 0.774869 0.407499 Li\n0.509217 0.601617 0.793893 Li\n0.998833 0.505603 0.496940 Li\n0.501981 0.215807 0.596321 Li\n0.488087 0.403861 0.209999 Li\n0.016392 0.902580 0.690777 Ti\n0.975738 0.110349 0.310828 Ti\n0.495549 0.994552 0.005578 Fe\n0.997471 0.698248 0.107655 Fe\n0.001059 0.307691 0.895591 Fe\n0.233553 0.969414 0.836229 O\n0.778834 0.868960 0.544052 O\n0.770248 0.652414 0.930899 O\n0.238234 0.776988 0.248904 O\n0.230423 0.567987 0.666191 O\n0.756304 0.423438 0.351725 O\n0.764852 0.221919 0.762556 O\n0.224763 0.337420 0.061966 O\n0.218120 0.132595 0.458739 O\n0.769292 0.063610 0.152326 O\n",
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"formula_full": "Li5 Ti2 Fe3 O10",
"formula_reduced": "Li5Ti2Fe3O10",
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]
}