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{
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{
"id": "mp-28253",
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"structure_string": "Li4 Bi4 O8\n1.0\n-2.380731 2.674901 9.315643\n2.380731 -2.674901 9.315643\n2.380731 2.674901 -9.315643\nLi Bi O\n4 4 8\ndirect\n0.249680 0.999680 0.750000 Li\n0.750320 0.500320 0.750000 Li\n0.750320 0.000320 0.250000 Li\n0.249680 0.499680 0.250000 Li\n0.329801 0.090348 0.239453 Bi\n0.670199 0.909652 0.760547 Bi\n0.149106 0.409652 0.739453 Bi\n0.850894 0.590348 0.260547 Bi\n0.452554 0.201836 0.250719 O\n0.547446 0.798164 0.749281 O\n0.048883 0.298164 0.750719 O\n0.951117 0.701836 0.249281 O\n0.919276 0.081341 0.837936 O\n0.080724 0.918659 0.162064 O\n0.756595 0.418659 0.337936 O\n0.243405 0.581341 0.662064 O\n",
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"volume": 237.2962462989834,
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"formula_full": "Li4 Bi4 O8",
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"spacegroup": 72
},
{
"id": "mp-1221372",
"created_at": "2022-09-04T14:41:57.180701Z",
"structure_string": "Mn12 B2 P2\n1.0\n0.000000 0.000000 4.296100\n-4.452168 4.353769 2.148050\n-4.371094 -4.272842 -2.148050\nMn B P\n12 2 2\ndirect\n0.656674 0.382938 0.680731 Mn\n0.358880 0.617062 0.319269 Mn\n0.015902 0.335622 0.389196 Mn\n0.962329 0.664378 0.610804 Mn\n0.067024 0.397454 0.040703 Mn\n0.423774 0.602546 0.959297 Mn\n0.973324 0.943021 0.383976 Mn\n0.532368 0.056979 0.616024 Mn\n0.682609 0.189969 0.017441 Mn\n0.855137 0.810031 0.982559 Mn\n0.344728 0.961246 0.184049 Mn\n0.121925 0.038754 0.815951 Mn\n0.215753 0.336494 0.751690 B\n0.800556 0.663506 0.248310 B\n0.536573 0.250259 0.334387 P\n0.452445 0.749741 0.665613 P\n",
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"elements": [
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"formula_full": "Mn12 B2 P2",
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{
"id": "mp-759302",
"created_at": "2022-09-04T14:41:57.062567Z",
"structure_string": "Yb8 Ti4 O20\n1.0\n3.677888 0.000000 0.000000\n0.000000 10.929971 0.000000\n0.000000 0.000000 11.098420\nYb Ti O\n8 4 20\ndirect\n0.250000 0.107200 0.282060 Yb\n0.250000 0.140185 0.938125 Yb\n0.750000 0.359815 0.438125 Yb\n0.750000 0.392800 0.782060 Yb\n0.250000 0.607200 0.217940 Yb\n0.250000 0.640185 0.561875 Yb\n0.750000 0.859815 0.061875 Yb\n0.750000 0.892800 0.717940 Yb\n0.250000 0.174695 0.625289 Ti\n0.750000 0.325305 0.125289 Ti\n0.250000 0.674695 0.874711 Ti\n0.750000 0.825305 0.374711 Ti\n0.750000 0.007120 0.906766 O\n0.250000 0.017410 0.663279 O\n0.250000 0.222478 0.457790 O\n0.750000 0.235079 0.612860 O\n0.750000 0.238573 0.270187 O\n0.250000 0.261427 0.770187 O\n0.250000 0.264921 0.112860 O\n0.750000 0.277522 0.957790 O\n0.750000 0.482590 0.163279 O\n0.250000 0.492880 0.406766 O\n0.750000 0.507120 0.593234 O\n0.250000 0.517410 0.836721 O\n0.250000 0.722478 0.042210 O\n0.750000 0.735079 0.887140 O\n0.750000 0.738573 0.229813 O\n0.250000 0.761427 0.729813 O\n0.250000 0.764921 0.387140 O\n0.750000 0.777522 0.542210 O\n0.750000 0.982590 0.336721 O\n0.250000 0.992880 0.093234 O\n",
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"elements": [
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"density": 7.055981817215129,
"density_atomic": 0.07172512485518032,
"volume": 446.1477071613465,
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"formula_full": "Yb8 Ti4 O20",
"formula_reduced": "Yb2TiO5",
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"energy": -242.57480696,
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"spacegroup": 62
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{
"id": "mp-1183612",
"created_at": "2022-09-04T14:41:57.068955Z",
"structure_string": "Ca1 Yb1 Eu2\n1.0\n0.000000 4.354045 4.354045\n4.354045 0.000000 4.354045\n4.354045 4.354045 0.000000\nCa Yb Eu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n",
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"density": 5.200792715019615,
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"formula_full": "Ca1 Yb1 Eu2",
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{
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"created_at": "2022-09-04T14:41:57.069549Z",
"structure_string": "Li1 Al1 Ni2\n1.0\n0.000000 2.843098 2.843098\n2.843098 0.000000 2.843098\n2.843098 2.843098 0.000000\nLi Al Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n",
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{
"id": "mp-1197288",
"created_at": "2022-09-04T14:41:57.076749Z",
"structure_string": "Cs4 Se12 O36\n1.0\n0.000000 -9.705962 0.000000\n-9.849817 0.000000 1.619316\n1.435277 0.000000 -11.208214\nCs Se O\n4 12 36\ndirect\n0.766546 0.221911 0.514202 Cs\n0.266546 0.778089 0.985798 Cs\n0.233454 0.778089 0.485798 Cs\n0.733454 0.221911 0.014202 Cs\n0.735764 0.781463 0.966323 Se\n0.235764 0.218537 0.533677 Se\n0.264236 0.218537 0.033677 Se\n0.764236 0.781463 0.466323 Se\n0.952368 0.470655 0.286447 Se\n0.452368 0.529345 0.213553 Se\n0.047632 0.529345 0.713553 Se\n0.547632 0.470655 0.786447 Se\n0.460774 0.087181 0.300437 Se\n0.960774 0.912819 0.199563 Se\n0.539226 0.912819 0.699563 Se\n0.039226 0.087181 0.800437 Se\n0.682976 0.608274 0.919865 O\n0.182976 0.391726 0.580135 O\n0.317024 0.391726 0.080135 O\n0.817024 0.608274 0.419865 O\n0.881776 0.765093 0.059251 O\n0.381776 0.234907 0.440749 O\n0.118224 0.234907 0.940749 O\n0.618224 0.765093 0.559251 O\n0.621304 0.887213 0.052449 O\n0.121304 0.112787 0.447551 O\n0.378696 0.112787 0.947551 O\n0.878696 0.887213 0.552449 O\n0.101056 0.502687 0.357130 O\n0.601056 0.497313 0.142870 O\n0.898944 0.497313 0.642870 O\n0.398944 0.502687 0.857130 O\n0.873203 0.328350 0.293357 O\n0.373203 0.671650 0.206643 O\n0.126797 0.671650 0.706643 O\n0.626797 0.328350 0.793357 O\n0.931849 0.516029 0.160120 O\n0.431849 0.483971 0.339880 O\n0.068151 0.483971 0.839880 O\n0.568151 0.516029 0.660120 O\n0.330415 0.040952 0.204292 O\n0.830415 0.959048 0.295708 O\n0.669585 0.959048 0.795708 O\n0.169585 0.040952 0.704292 O\n0.577123 0.188541 0.265194 O\n0.077123 0.811459 0.234806 O\n0.422877 0.811459 0.734806 O\n0.922877 0.188541 0.765194 O\n0.516095 0.971639 0.366749 O\n0.016095 0.028361 0.133251 O\n0.483905 0.028361 0.633251 O\n0.983905 0.971639 0.866749 O\n",
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{
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"structure_string": "Sr8 Ca4 I24\n1.0\n7.921104 0.000000 0.000000\n0.000000 8.426100 0.000000\n0.000000 0.368107 24.206951\nSr Ca I\n8 4 24\ndirect\n0.555498 0.230558 0.739642 Sr\n0.983176 0.337995 0.908110 Sr\n0.944502 0.230558 0.239642 Sr\n0.516824 0.337995 0.408110 Sr\n0.483176 0.662005 0.591890 Sr\n0.055498 0.769442 0.760358 Sr\n0.016824 0.662005 0.091890 Sr\n0.444502 0.769442 0.260358 Sr\n0.031316 0.140413 0.586229 Ca\n0.468684 0.140413 0.086229 Ca\n0.531316 0.859587 0.913771 Ca\n0.968684 0.859587 0.413771 Ca\n0.799404 0.019178 0.826771 I\n0.294734 0.105345 0.844109 I\n0.704978 0.132736 0.983143 I\n0.700596 0.019178 0.326771 I\n0.205266 0.105345 0.344109 I\n0.795022 0.132736 0.483143 I\n0.290181 0.362878 0.524345 I\n0.765317 0.387887 0.635319 I\n0.256378 0.479477 0.692136 I\n0.756378 0.520523 0.807864 I\n0.209819 0.362878 0.024345 I\n0.265317 0.612113 0.864681 I\n0.734683 0.387887 0.135319 I\n0.790181 0.637122 0.975655 I\n0.243622 0.479477 0.192136 I\n0.743622 0.520523 0.307864 I\n0.234683 0.612113 0.364681 I\n0.709819 0.637122 0.475655 I\n0.204978 0.867264 0.516857 I\n0.794734 0.894655 0.655891 I\n0.299404 0.980822 0.673229 I\n0.295022 0.867264 0.016857 I\n0.705266 0.894655 0.155891 I\n0.200596 0.980822 0.173229 I\n",
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{
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{
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},
{
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{
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]
}