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{
"id": "mp-8374",
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{
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{
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{
"id": "mp-1197404",
"created_at": "2022-09-04T14:45:11.368611Z",
"structure_string": "Y4 Sn6 Pb6 S24\n1.0\n-3.942494 0.000000 0.000000\n0.000000 0.000000 -11.671897\n0.000000 -20.438981 0.000000\nY Sn Pb S\n4 6 6 24\ndirect\n0.000000 0.545980 0.411782 Y\n0.000000 0.045980 0.588218 Y\n0.000000 0.868320 0.105017 Y\n0.000000 0.368320 0.894983 Y\n0.500000 0.693007 0.249747 Sn\n0.500000 0.193007 0.750253 Sn\n0.500000 0.174653 0.088360 Sn\n0.500000 0.674653 0.911640 Sn\n0.500000 0.200716 0.425192 Sn\n0.500000 0.700716 0.574808 Sn\n0.000000 0.923083 0.377702 Pb\n0.000000 0.423083 0.622298 Pb\n0.000000 0.289273 0.257988 Pb\n0.000000 0.789273 0.742012 Pb\n0.000000 0.496708 0.085953 Pb\n0.000000 0.996708 0.914047 Pb\n0.000000 0.255094 0.017355 S\n0.000000 0.755094 0.982645 S\n0.000000 0.091904 0.158830 S\n0.000000 0.591904 0.841170 S\n0.000000 0.844384 0.242649 S\n0.000000 0.344384 0.757351 S\n0.000000 0.548323 0.257956 S\n0.000000 0.048323 0.742044 S\n0.000000 0.257365 0.491211 S\n0.000000 0.757365 0.508789 S\n0.500000 0.980052 0.031075 S\n0.500000 0.480052 0.968925 S\n0.500000 0.703176 0.124217 S\n0.500000 0.203176 0.875783 S\n0.500000 0.356266 0.157363 S\n0.500000 0.856266 0.842637 S\n0.500000 0.092056 0.322667 S\n0.500000 0.592056 0.677333 S\n0.500000 0.389661 0.359662 S\n0.500000 0.889661 0.640338 S\n0.500000 0.709189 0.373503 S\n0.500000 0.209189 0.626497 S\n0.500000 0.011491 0.490401 S\n0.500000 0.511491 0.509599 S\n",
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"elements": [
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"volume": 940.5279960392667,
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"formula_full": "Y4 Sn6 Pb6 S24",
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},
{
"id": "mp-1229291",
"created_at": "2022-09-04T14:45:11.422695Z",
"structure_string": "Ag2 Sb6 Pb2 S12\n1.0\n0.000000 0.000000 5.108727\n9.353516 6.027826 0.000000\n-10.146265 7.021851 0.000000\nAg Sb Pb S\n2 6 2 12\ndirect\n0.337693 0.988798 0.271267 Ag\n0.662307 0.488798 0.771267 Ag\n0.748577 0.705073 0.096770 Sb\n0.805221 0.810532 0.409769 Sb\n0.386254 0.490864 0.213442 Sb\n0.613746 0.990864 0.713442 Sb\n0.194779 0.310532 0.909769 Sb\n0.251423 0.205073 0.596770 Sb\n0.836837 0.205893 0.229566 Pb\n0.163163 0.705893 0.729566 Pb\n0.322094 0.331388 0.301007 S\n0.677906 0.831388 0.801007 S\n0.135397 0.743470 0.242849 S\n0.864603 0.243470 0.742849 S\n0.311068 0.085142 0.884740 S\n0.336139 0.428898 0.616507 S\n0.663861 0.928898 0.116507 S\n0.688932 0.585142 0.384740 S\n0.884547 0.348945 0.068582 S\n0.115453 0.848945 0.568582 S\n0.997895 0.610997 0.915501 S\n0.002105 0.110997 0.415501 S\n",
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"formula_full": "Ag2 Sb6 Pb2 S12",
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"spacegroup": 7
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{
"id": "mp-8882",
"created_at": "2022-09-04T14:45:11.446296Z",
"structure_string": "Ga2 P2\n1.0\n1.940178 -3.360487 0.000000\n1.940178 3.360487 0.000000\n0.000000 0.000000 6.395361\nGa P\n2 2\ndirect\n0.666667 0.333333 0.499939 Ga\n0.333333 0.666667 0.999939 Ga\n0.666667 0.333333 0.874061 P\n0.333333 0.666667 0.374061 P\n",
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{
"id": "mp-641923",
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"structure_string": "Cs2 Sn1 Br6\n1.0\n0.000000 5.617715 5.617715\n5.617715 0.000000 5.617715\n5.617715 5.617715 0.000000\nCs Sn Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Sn\n0.236770 0.763230 0.236770 Br\n0.763230 0.236770 0.763230 Br\n0.763230 0.236770 0.236770 Br\n0.763230 0.763230 0.236770 Br\n0.236770 0.763230 0.763230 Br\n0.236770 0.236770 0.763230 Br\n",
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{
"id": "mp-1211031",
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"structure_string": "Lu2 Be2 N2 F12\n1.0\n5.938071 0.000000 0.000000\n0.000000 6.497425 0.000000\n0.000000 2.530410 6.763791\nLu Be N F\n2 2 2 12\ndirect\n0.250000 0.344792 0.236074 Lu\n0.750000 0.655208 0.763926 Lu\n0.250000 0.770480 0.458148 Be\n0.750000 0.229520 0.541852 Be\n0.250000 0.261153 0.852692 N\n0.750000 0.738847 0.147308 N\n0.460478 0.748337 0.593621 F\n0.539522 0.251663 0.406379 F\n0.960478 0.251663 0.406379 F\n0.039522 0.748337 0.593621 F\n0.250000 0.593781 0.360629 F\n0.750000 0.406219 0.639371 F\n0.556338 0.652110 0.047346 F\n0.443662 0.347890 0.952654 F\n0.056338 0.347890 0.952654 F\n0.943662 0.652110 0.047346 F\n0.250000 0.002213 0.293940 F\n0.750000 0.997787 0.706060 F\n",
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"formula_full": "Lu2 Be2 N2 F12",
"formula_reduced": "LuBeNF6",
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{
"id": "mp-554624",
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"structure_string": "Cu16 Ge16 O48\n1.0\n8.745921 0.000000 0.000000\n0.000000 9.884445 0.000000\n0.000000 0.000000 11.923969\nCu Ge O\n16 16 48\ndirect\n0.500000 0.500000 0.750905 Cu\n0.000000 0.500000 0.498282 Cu\n0.000000 0.500000 0.249879 Cu\n0.000000 0.000000 0.249095 Cu\n0.000000 0.000000 0.001682 Cu\n0.500000 0.500000 0.998318 Cu\n0.500000 0.000000 0.501718 Cu\n0.500000 0.500000 0.501668 Cu\n0.500000 0.500000 0.248951 Cu\n0.000000 0.000000 0.751049 Cu\n0.500000 0.000000 0.750121 Cu\n0.000000 0.000000 0.498332 Cu\n0.000000 0.500000 0.750179 Cu\n0.000000 0.500000 0.001831 Cu\n0.500000 0.000000 0.998169 Cu\n0.500000 0.000000 0.249821 Cu\n0.254324 0.296144 0.625099 Ge\n0.248281 0.795134 0.125119 Ge\n0.245676 0.796144 0.374901 Ge\n0.251464 0.295835 0.375206 Ge\n0.251719 0.295134 0.874881 Ge\n0.251763 0.795720 0.874995 Ge\n0.751464 0.204165 0.624794 Ge\n0.248237 0.295720 0.125005 Ge\n0.745676 0.703856 0.625099 Ge\n0.754324 0.203856 0.374901 Ge\n0.748281 0.704866 0.874881 Ge\n0.751719 0.204866 0.125119 Ge\n0.748536 0.704165 0.375206 Ge\n0.748237 0.204280 0.874995 Ge\n0.751763 0.704280 0.125005 Ge\n0.248536 0.795835 0.624794 Ge\n0.571535 0.611173 0.626155 O\n0.912214 0.100025 0.875954 O\n0.421939 0.892504 0.874695 O\n0.920782 0.104992 0.624011 O\n0.748192 0.306867 0.250119 O\n0.914255 0.601873 0.374701 O\n0.412214 0.399975 0.124046 O\n0.423420 0.390647 0.873732 O\n0.085745 0.398127 0.374701 O\n0.749904 0.806034 0.500181 O\n0.576580 0.609353 0.873732 O\n0.420782 0.395008 0.375989 O\n0.088644 0.401492 0.875620 O\n0.428465 0.388827 0.626155 O\n0.087786 0.899975 0.875954 O\n0.923420 0.109353 0.126268 O\n0.752074 0.305870 0.750111 O\n0.076580 0.890647 0.126268 O\n0.750241 0.806668 0.000198 O\n0.595372 0.092796 0.375382 O\n0.578061 0.107496 0.874695 O\n0.911356 0.598508 0.875620 O\n0.414255 0.898127 0.625299 O\n0.071535 0.888827 0.373845 O\n0.247926 0.694130 0.750111 O\n0.749759 0.306668 0.999802 O\n0.751808 0.806867 0.749881 O\n0.921939 0.607496 0.125305 O\n0.750096 0.306034 0.499819 O\n0.585745 0.101873 0.625299 O\n0.404628 0.907204 0.375382 O\n0.250241 0.693332 0.999802 O\n0.249759 0.193332 0.000198 O\n0.251808 0.693133 0.250119 O\n0.579218 0.604992 0.375989 O\n0.252074 0.194130 0.249889 O\n0.095372 0.407204 0.624618 O\n0.249904 0.693966 0.499819 O\n0.588644 0.098508 0.124380 O\n0.587786 0.600025 0.124046 O\n0.248192 0.193133 0.749881 O\n0.928465 0.111173 0.373845 O\n0.411356 0.901492 0.124380 O\n0.079218 0.895008 0.624011 O\n0.904628 0.592796 0.624618 O\n0.078061 0.392504 0.125305 O\n0.747926 0.805870 0.249889 O\n0.250096 0.193966 0.500181 O\n",
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{
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],
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"volume": 363.1693511230231,
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"formula_full": "Ge4 Te7 As2",
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{
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"created_at": "2022-09-04T14:45:27.985959Z",
"structure_string": "Al40 O60\n1.0\n10.145619 0.068973 0.009387\n0.060941 10.994692 0.105495\n0.015131 0.103257 10.435608\nAl O\n40 60\ndirect\n0.201457 0.428136 0.358312 Al\n0.742224 0.106952 0.743653 Al\n0.103459 0.687084 0.413231 Al\n0.324109 0.673429 0.872972 Al\n0.606985 0.962367 0.546868 Al\n0.030244 0.188658 0.714370 Al\n0.192360 0.135287 0.442668 Al\n0.345926 0.037688 0.667721 Al\n0.137117 0.225440 0.199858 Al\n0.879225 0.481414 0.697742 Al\n0.770106 0.659927 0.905534 Al\n0.658996 0.131994 0.993398 Al\n0.724261 0.120498 0.404337 Al\n0.568191 0.871359 0.817585 Al\n0.058917 0.620317 0.929028 Al\n0.921670 0.279084 0.923664 Al\n0.287916 0.404927 0.876150 Al\n0.177026 0.920673 0.215495 Al\n0.416906 0.943767 0.077732 Al\n0.147210 0.790649 0.662628 Al\n0.430714 0.274212 0.455865 Al\n0.253313 0.511025 0.099193 Al\n0.569228 0.665328 0.477132 Al\n0.909854 0.044913 0.206458 Al\n0.318850 0.817721 0.471819 Al\n0.927407 0.994303 0.554762 Al\n0.704523 0.887578 0.063793 Al\n0.567957 0.438961 0.012766 Al\n0.652702 0.434153 0.567578 Al\n0.563432 0.605472 0.763192 Al\n0.489626 0.531371 0.279901 Al\n0.832726 0.750543 0.607874 Al\n0.563337 0.852595 0.306528 Al\n0.890972 0.556471 0.437266 Al\n0.204824 0.098680 0.955638 Al\n0.710632 0.397067 0.282839 Al\n0.436270 0.230782 0.121973 Al\n0.962969 0.472988 0.147344 Al\n0.900555 0.759652 0.186627 Al\n0.381780 0.430305 0.640592 Al\n0.261682 0.207886 0.073589 O\n0.454944 0.745315 0.795356 O\n0.942734 0.615009 0.605931 O\n0.701825 0.742676 0.764699 O\n0.882908 0.391015 0.032200 O\n0.826417 0.423697 0.531188 O\n0.152868 0.272867 0.363439 O\n0.955858 0.338114 0.753538 O\n0.942305 0.709108 0.348254 O\n0.517158 0.682032 0.316890 O\n0.585008 0.280077 0.026844 O\n0.083771 0.113658 0.570461 O\n0.903979 0.074057 0.703014 O\n0.385551 0.527147 0.798585 O\n0.766586 0.900374 0.576783 O\n0.386031 0.412566 0.023567 O\n0.158617 0.720050 0.818313 O\n0.495968 0.084820 0.064031 O\n0.697613 0.490457 0.723091 O\n0.125367 0.409075 0.178997 O\n0.435058 0.261858 0.287599 O\n0.995852 0.845235 0.601773 O\n0.201826 0.806251 0.340433 O\n0.770948 0.205782 0.877509 O\n0.667966 0.005636 0.860365 O\n0.498718 0.822273 0.487560 O\n0.737198 0.664549 0.493671 O\n0.078741 0.528455 0.408894 O\n0.259073 0.910322 0.601793 O\n0.543387 0.857892 0.995903 O\n0.608900 0.000530 0.379618 O\n0.320393 0.515335 0.259066 O\n0.853222 0.486621 0.279529 O\n0.818087 0.773930 0.012604 O\n0.000607 0.630477 0.097229 O\n0.598253 0.463062 0.401471 O\n0.998012 0.900781 0.180815 O\n0.502358 0.571158 0.598364 O\n0.062527 0.173418 0.885852 O\n0.718183 0.822957 0.222931 O\n0.288354 0.658422 0.034925 O\n0.992076 0.168378 0.137603 O\n0.351342 0.136182 0.522180 O\n0.723708 0.243891 0.305720 O\n0.681581 0.120547 0.576609 O\n0.239837 0.959306 0.054332 O\n0.412430 0.897330 0.236672 O\n0.884697 0.047554 0.386122 O\n0.153456 0.483071 0.942312 O\n0.178036 0.060344 0.296059 O\n0.222964 0.693852 0.545640 O\n0.294412 0.063508 0.820910 O\n0.604134 0.475566 0.169084 O\n0.504664 0.966517 0.684088 O\n0.280034 0.328274 0.735767 O\n0.911554 0.585701 0.847126 O\n0.620627 0.573723 0.932376 O\n0.523496 0.326643 0.596471 O\n0.320826 0.404822 0.484005 O\n0.763591 0.037100 0.101598 O\n",
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]
}