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{
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{
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{
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{
"id": "mp-1214500",
"created_at": "2022-09-04T14:40:12.140879Z",
"structure_string": "Cs16 Re24 Se32 I24\n1.0\n-9.958843 0.000000 2.913128\n0.004739 0.000000 -11.996124\n0.000000 -29.899108 0.000000\nCs Re Se I\n16 24 32 24\ndirect\n0.334302 0.833283 0.770128 Cs\n0.665698 0.166717 0.229872 Cs\n0.665698 0.666717 0.270128 Cs\n0.334302 0.333283 0.729872 Cs\n0.727716 0.933509 0.456240 Cs\n0.272284 0.066491 0.543760 Cs\n0.272284 0.566491 0.956240 Cs\n0.727716 0.433509 0.043760 Cs\n0.745422 0.432754 0.457201 Cs\n0.254578 0.567246 0.542799 Cs\n0.254578 0.067246 0.957201 Cs\n0.745422 0.932754 0.042799 Cs\n0.837751 0.710762 0.636972 Cs\n0.162249 0.289238 0.363028 Cs\n0.162249 0.789238 0.136972 Cs\n0.837751 0.210762 0.863028 Cs\n0.930662 0.622882 0.847538 Re\n0.069338 0.377118 0.152462 Re\n0.069338 0.877118 0.347538 Re\n0.930662 0.122882 0.652462 Re\n0.696381 0.788184 0.889037 Re\n0.303619 0.211816 0.110963 Re\n0.303619 0.711816 0.389037 Re\n0.696381 0.288184 0.610963 Re\n0.933940 0.844969 0.848703 Re\n0.066060 0.155031 0.151297 Re\n0.066060 0.655031 0.348703 Re\n0.933940 0.344969 0.651297 Re\n0.693396 0.565797 0.887651 Re\n0.306604 0.434203 0.112349 Re\n0.306604 0.934203 0.387651 Re\n0.693396 0.065797 0.612349 Re\n0.898632 0.723644 0.924214 Re\n0.101368 0.276356 0.075786 Re\n0.101368 0.776356 0.424214 Re\n0.898632 0.223644 0.575786 Re\n0.726812 0.687051 0.812508 Re\n0.273188 0.312949 0.187492 Re\n0.273188 0.812949 0.312508 Re\n0.726812 0.187051 0.687492 Re\n0.875843 0.722402 0.383395 Se\n0.124157 0.277598 0.616605 Se\n0.124157 0.777598 0.883395 Se\n0.875843 0.222402 0.116605 Se\n0.666770 0.667625 0.960922 Se\n0.333230 0.332375 0.039078 Se\n0.333230 0.832375 0.460922 Se\n0.666770 0.167625 0.539078 Se\n0.734630 0.900887 0.815434 Se\n0.265370 0.099113 0.184566 Se\n0.265370 0.599113 0.315434 Se\n0.734630 0.400887 0.684566 Se\n0.729135 0.975972 0.686900 Se\n0.270865 0.024028 0.313100 Se\n0.270865 0.524028 0.186900 Se\n0.729135 0.475972 0.813100 Se\n0.892367 0.509955 0.921257 Se\n0.107633 0.490045 0.078743 Se\n0.107633 0.990045 0.421257 Se\n0.892367 0.009955 0.578743 Se\n0.957163 0.741953 0.775654 Se\n0.042837 0.258047 0.224346 Se\n0.042837 0.758047 0.275654 Se\n0.957163 0.241953 0.724346 Se\n0.502931 0.633648 0.853743 Se\n0.497069 0.366352 0.146257 Se\n0.497069 0.866352 0.353743 Se\n0.502931 0.133648 0.646257 Se\n0.897846 0.936230 0.923241 Se\n0.102154 0.063770 0.076759 Se\n0.102154 0.563770 0.423241 Se\n0.897846 0.436230 0.576759 Se\n0.111903 0.996781 0.678911 I\n0.888097 0.003219 0.321089 I\n0.888097 0.503219 0.178911 I\n0.111903 0.496781 0.821089 I\n0.577300 0.653264 0.731051 I\n0.422700 0.346736 0.268949 I\n0.422700 0.846736 0.231051 I\n0.577300 0.153264 0.768949 I\n0.517323 0.851032 0.584292 I\n0.482677 0.148968 0.415708 I\n0.482677 0.648968 0.084292 I\n0.517323 0.351032 0.915708 I\n0.875981 0.941801 0.175257 I\n0.124019 0.058199 0.824743 I\n0.124019 0.558199 0.675257 I\n0.875981 0.441801 0.324743 I\n0.973006 0.748024 0.509329 I\n0.026994 0.251976 0.490671 I\n0.026994 0.751976 0.009329 I\n0.973006 0.248024 0.990671 I\n0.526537 0.918315 0.922307 I\n0.473463 0.081685 0.077693 I\n0.473463 0.581685 0.422307 I\n0.526537 0.418315 0.577693 I\n",
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"density_atomic": 0.02687901549887689,
"volume": 3571.5593825975975,
"volume_molar": 22.404618056980652,
"formula_full": "Cs16 Re24 Se32 I24",
"formula_reduced": "Cs2Re3Se4I3",
"formula_anonymous": "A2B3C3D4",
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"spacegroup": 14
},
{
"id": "mp-1205731",
"created_at": "2022-09-04T14:40:21.155956Z",
"structure_string": "K3 Sm1 F6\n1.0\n-4.779581 -4.779581 0.000000\n-4.779581 0.000000 -4.779581\n0.000000 -4.779581 -4.779581\nK Sm F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sm\n0.765246 0.765246 0.234754 F\n0.234754 0.234754 0.765246 F\n0.765246 0.234754 0.765246 F\n0.234754 0.765246 0.234754 F\n0.234754 0.765246 0.765246 F\n0.765246 0.234754 0.234754 F\n",
"nsites": 10,
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"volume": 218.37326815734238,
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"formula_full": "K3 Sm1 F6",
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{
"id": "mp-680159",
"created_at": "2022-09-04T14:40:12.457657Z",
"structure_string": "Cs2 Ta12 Pb2 Cl36\n1.0\n4.719964 -8.175217 0.000000\n4.719964 8.175217 0.000000\n0.000000 0.000000 17.587992\nCs Ta Pb Cl\n2 12 2 36\ndirect\n0.666667 0.333333 0.750000 Cs\n0.333333 0.666667 0.250000 Cs\n0.808436 0.834899 0.931881 Ta\n0.834899 0.026463 0.068119 Ta\n0.191564 0.026463 0.431881 Ta\n0.191564 0.165101 0.068119 Ta\n0.165101 0.973537 0.931881 Ta\n0.973537 0.165101 0.431881 Ta\n0.808436 0.973537 0.568119 Ta\n0.026463 0.834899 0.568119 Ta\n0.165101 0.191564 0.568119 Ta\n0.834899 0.808436 0.431881 Ta\n0.973537 0.808436 0.068119 Ta\n0.026463 0.191564 0.931881 Ta\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n0.837909 0.583362 0.500128 Cl\n0.053968 0.623923 0.655083 Cl\n0.416638 0.162091 0.999872 Cl\n0.745452 0.162091 0.500128 Cl\n0.162091 0.745452 0.000128 Cl\n0.162091 0.416638 0.499872 Cl\n0.223868 0.030258 0.659495 Cl\n0.969742 0.193610 0.659495 Cl\n0.623923 0.053968 0.155083 Cl\n0.193610 0.969742 0.159495 Cl\n0.030258 0.223868 0.159495 Cl\n0.569956 0.623923 0.844917 Cl\n0.583362 0.837909 0.000128 Cl\n0.376077 0.430044 0.655083 Cl\n0.416638 0.254548 0.500128 Cl\n0.837909 0.254548 0.999872 Cl\n0.430044 0.053968 0.344917 Cl\n0.776132 0.969742 0.340505 Cl\n0.583362 0.745452 0.499872 Cl\n0.806390 0.030258 0.840505 Cl\n0.254548 0.837909 0.499872 Cl\n0.623923 0.569956 0.344917 Cl\n0.946032 0.569956 0.155083 Cl\n0.946032 0.376077 0.344917 Cl\n0.776132 0.806390 0.159495 Cl\n0.969742 0.776132 0.840505 Cl\n0.569956 0.946032 0.655083 Cl\n0.223868 0.193610 0.840505 Cl\n0.254548 0.416638 0.000128 Cl\n0.193610 0.223868 0.340505 Cl\n0.376077 0.946032 0.844917 Cl\n0.053968 0.430044 0.844917 Cl\n0.806390 0.776132 0.659495 Cl\n0.430044 0.376077 0.155083 Cl\n0.030258 0.806390 0.340505 Cl\n0.745452 0.583362 0.999872 Cl\n",
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{
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{
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{
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"structure_string": "Er2 Ni12 P7\n1.0\n4.510826 -7.812979 0.000000\n4.510826 7.812979 0.000000\n0.000000 0.000000 3.666044\nEr Ni P\n2 12 7\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.500000 Er\n0.101117 0.394182 0.000000 Ni\n0.293065 0.898883 0.000000 Ni\n0.605818 0.706935 0.000000 Ni\n0.819414 0.608114 0.000000 Ni\n0.788700 0.180586 0.000000 Ni\n0.391886 0.211300 0.000000 Ni\n0.048865 0.764736 0.500000 Ni\n0.715871 0.951135 0.500000 Ni\n0.235264 0.284129 0.500000 Ni\n0.883722 0.427471 0.500000 Ni\n0.543749 0.116278 0.500000 Ni\n0.572529 0.456251 0.500000 Ni\n0.074573 0.627140 0.000000 P\n0.552567 0.925427 0.000000 P\n0.372860 0.447433 0.000000 P\n0.778665 0.739420 0.500000 P\n0.960755 0.221335 0.500000 P\n0.260580 0.039245 0.500000 P\n0.666667 0.333333 0.000000 P\n",
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{
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{
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{
"id": "mp-1235057",
"created_at": "2022-09-04T14:40:12.679732Z",
"structure_string": "Li1 Nb2 Te4 Cl10 O1\n1.0\n6.993515 -0.029334 0.310297\n2.383511 8.746366 1.472488\n-0.362601 0.051478 9.399520\nLi Nb Te Cl O\n1 2 4 10 1\ndirect\n0.406295 0.966065 0.574279 Li\n0.524742 0.614714 0.636661 Nb\n0.486614 0.364300 0.351459 Nb\n0.182786 0.904754 0.162509 Te\n0.082034 0.185136 0.989176 Te\n0.914386 0.811145 0.010032 Te\n0.811934 0.091293 0.838076 Te\n0.448783 0.183589 0.200055 Cl\n0.386117 0.485953 0.826193 Cl\n0.800489 0.204384 0.429591 Cl\n0.157901 0.523015 0.279860 Cl\n0.618151 0.513723 0.175400 Cl\n0.327654 0.229127 0.547815 Cl\n0.852381 0.480375 0.718603 Cl\n0.649238 0.787753 0.458131 Cl\n0.199433 0.792235 0.572786 Cl\n0.545657 0.818335 0.801078 Cl\n0.503554 0.494104 0.499724 O\n",
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{
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}