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{
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{
"id": "mp-1097451",
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"structure_string": "Sc1 Mn1 Pt2\n1.0\n-4.811880 5.530576 8.024778\n4.811880 -5.530576 8.024778\n4.811880 5.530576 -8.024778\nSc Mn Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Mn\n0.000000 0.239831 0.239831 Pt\n0.000000 0.760169 0.760169 Pt\n",
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{
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"formula_full": "Ba5 Mg18 Ge13",
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"spacegroup": 157
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{
"id": "mp-1179123",
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"structure_string": "U12 O40\n1.0\n20.445114 0.000000 0.000000\n0.000000 5.881327 0.000000\n0.000000 3.675382 7.104320\nU O\n12 40\ndirect\n0.742442 0.736347 0.745564 U\n0.242442 0.263653 0.754436 U\n0.257558 0.263653 0.254436 U\n0.757558 0.736347 0.245564 U\n0.947213 0.808783 0.697375 U\n0.447213 0.191217 0.802625 U\n0.052787 0.191217 0.302625 U\n0.552787 0.808783 0.197375 U\n0.148921 0.777333 0.751386 U\n0.648921 0.222667 0.748614 U\n0.851079 0.222667 0.248614 U\n0.351079 0.777333 0.251386 U\n0.720376 0.514942 0.572501 O\n0.220376 0.485058 0.927499 O\n0.279624 0.485058 0.427499 O\n0.779624 0.514942 0.072501 O\n0.726987 0.992904 0.883029 O\n0.226987 0.007096 0.616971 O\n0.273013 0.007096 0.116971 O\n0.773013 0.992904 0.383029 O\n0.898674 0.889380 0.446887 O\n0.398674 0.110620 0.053113 O\n0.101326 0.110620 0.553113 O\n0.601326 0.889380 0.946887 O\n0.946260 0.848905 0.920111 O\n0.446260 0.151095 0.579889 O\n0.053740 0.151095 0.079889 O\n0.553740 0.848905 0.420111 O\n0.171450 0.506102 0.631530 O\n0.671450 0.493898 0.868470 O\n0.828550 0.493898 0.368470 O\n0.328550 0.506102 0.131530 O\n0.170280 0.987706 0.897008 O\n0.670280 0.012294 0.602992 O\n0.829720 0.012294 0.102992 O\n0.329720 0.987706 0.397008 O\n0.827816 0.869890 0.717994 O\n0.327816 0.130110 0.782006 O\n0.172184 0.130110 0.282006 O\n0.672184 0.869890 0.217994 O\n0.061523 0.647012 0.816754 O\n0.561523 0.352988 0.683246 O\n0.938477 0.352988 0.183246 O\n0.438477 0.647012 0.316754 O\n0.422756 0.527949 0.718268 O\n0.922756 0.472051 0.781732 O\n0.577244 0.472051 0.281732 O\n0.077244 0.527949 0.218268 O\n0.474666 0.846331 0.930375 O\n0.974666 0.153669 0.569625 O\n0.525334 0.153669 0.069625 O\n0.025334 0.846331 0.430375 O\n",
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"elements": [
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"formula_full": "U12 O40",
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{
"id": "mp-1232040",
"created_at": "2022-09-04T14:42:43.868253Z",
"structure_string": "La8 Mg4 Se16\n1.0\n4.200848 0.000000 0.000000\n0.000000 13.707591 0.000000\n0.000000 0.000000 14.835592\nLa Mg Se\n8 4 16\ndirect\n0.250000 0.121436 0.074776 La\n0.750000 0.878564 0.925224 La\n0.750000 0.378564 0.574776 La\n0.250000 0.621436 0.425224 La\n0.250000 0.131474 0.705425 La\n0.750000 0.868526 0.294575 La\n0.750000 0.368526 0.205424 La\n0.250000 0.631474 0.794575 La\n0.750000 0.105981 0.464075 Mg\n0.250000 0.894019 0.535925 Mg\n0.250000 0.394019 0.964075 Mg\n0.750000 0.605981 0.035925 Mg\n0.750000 0.999748 0.612969 Se\n0.250000 0.000252 0.387031 Se\n0.250000 0.500252 0.112969 Se\n0.750000 0.499748 0.887031 Se\n0.250000 0.026680 0.885590 Se\n0.750000 0.973320 0.114410 Se\n0.750000 0.473320 0.385590 Se\n0.250000 0.526680 0.614410 Se\n0.250000 0.229825 0.245660 Se\n0.750000 0.770175 0.754340 Se\n0.750000 0.270175 0.745660 Se\n0.250000 0.729825 0.254340 Se\n0.750000 0.270163 0.015225 Se\n0.250000 0.729837 0.984775 Se\n0.250000 0.229837 0.515225 Se\n0.750000 0.770163 0.484775 Se\n",
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"volume": 854.2854044640798,
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"formula_full": "La8 Mg4 Se16",
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{
"id": "mp-1221060",
"created_at": "2022-09-04T14:44:49.727747Z",
"structure_string": "Na5 Zr2 Si12 O37\n1.0\n5.241701 9.043034 0.000000\n-5.241701 9.043034 0.000000\n0.000000 5.985541 9.011481\nNa Zr Si O\n5 2 12 37\ndirect\n0.740753 0.755417 0.503022 Na\n0.243210 0.254522 0.001988 Na\n0.244583 0.259247 0.496978 Na\n0.745478 0.756790 0.998012 Na\n0.259052 0.740948 0.500000 Na\n0.001720 0.495920 0.750813 Zr\n0.504080 0.998280 0.249187 Zr\n0.874260 0.916319 0.596336 Si\n0.374661 0.415714 0.096548 Si\n0.083681 0.125740 0.403664 Si\n0.584286 0.625339 0.903452 Si\n0.421825 0.363538 0.590946 Si\n0.921495 0.863878 0.091188 Si\n0.636462 0.578175 0.409054 Si\n0.136122 0.078505 0.908812 Si\n0.869770 0.359887 0.599841 Si\n0.368583 0.859803 0.098558 Si\n0.640113 0.130230 0.400159 Si\n0.140197 0.631417 0.901442 Si\n0.020915 0.979085 0.500000 O\n0.518299 0.481701 0.000000 O\n0.507225 0.492775 0.500000 O\n0.013499 0.986501 0.000000 O\n0.496488 0.245100 0.496148 O\n0.994900 0.743750 0.998695 O\n0.754900 0.503512 0.503852 O\n0.256250 0.005100 0.001305 O\n0.786891 0.940097 0.758661 O\n0.287055 0.439677 0.259027 O\n0.059903 0.213109 0.241339 O\n0.560323 0.712945 0.740973 O\n0.547942 0.762160 0.392575 O\n0.051994 0.262648 0.892770 O\n0.237840 0.452058 0.607425 O\n0.737352 0.948006 0.107230 O\n0.757568 0.000649 0.497624 O\n0.256753 0.500306 0.999189 O\n0.999351 0.242432 0.502376 O\n0.499694 0.743247 0.000811 O\n0.269259 0.054355 0.379726 O\n0.769484 0.560421 0.877845 O\n0.945645 0.730741 0.620274 O\n0.439579 0.230516 0.122155 O\n0.569045 0.038866 0.377613 O\n0.069421 0.540841 0.876157 O\n0.961134 0.430955 0.622387 O\n0.459159 0.930579 0.123843 O\n0.423729 0.273487 0.761068 O\n0.921973 0.774672 0.262293 O\n0.726513 0.576271 0.238932 O\n0.225328 0.078027 0.737707 O\n0.765281 0.234719 0.000000 O\n0.762814 0.271217 0.759188 O\n0.269961 0.772583 0.261003 O\n0.728783 0.237186 0.240812 O\n0.227417 0.730039 0.738997 O\n",
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{
"id": "mp-1225958",
"created_at": "2022-09-04T14:40:04.541037Z",
"structure_string": "Ho2 Br6 O36\n1.0\n0.000000 0.000000 -6.611249\n-5.580730 -11.578500 0.000000\n-5.580730 11.578500 0.000000\nHo Br O\n2 6 36\ndirect\n0.515341 0.348839 0.651161 Ho\n0.015341 0.651161 0.348839 Ho\n0.331253 0.179837 0.324054 Br\n0.831253 0.324054 0.179837 Br\n0.831253 0.820163 0.675946 Br\n0.331253 0.675946 0.820163 Br\n0.337846 0.101273 0.898727 Br\n0.837846 0.898727 0.101273 Br\n0.889092 0.264404 0.735596 O\n0.389092 0.735596 0.264404 O\n0.789777 0.296481 0.506234 O\n0.289777 0.506234 0.296481 O\n0.289777 0.703519 0.493766 O\n0.789777 0.493766 0.703519 O\n0.353895 0.189102 0.466063 O\n0.853895 0.466063 0.189102 O\n0.853895 0.810898 0.533937 O\n0.353895 0.533937 0.810898 O\n0.290735 0.067933 0.650593 O\n0.790735 0.650593 0.067933 O\n0.790735 0.932067 0.349407 O\n0.290735 0.349407 0.932067 O\n0.236294 0.328738 0.384321 O\n0.736294 0.384321 0.328738 O\n0.736294 0.671262 0.615679 O\n0.236294 0.615679 0.671262 O\n0.890292 0.410824 0.589176 O\n0.970140 0.553914 0.446086 O\n0.470140 0.446086 0.553914 O\n0.390292 0.589176 0.410824 O\n0.794043 0.181720 0.620458 O\n0.911817 0.617500 0.115360 O\n0.411817 0.115360 0.617500 O\n0.294043 0.620458 0.181720 O\n0.911817 0.884640 0.382500 O\n0.794043 0.379542 0.818280 O\n0.294043 0.818280 0.379542 O\n0.411817 0.382500 0.884640 O\n0.149210 0.071332 0.232133 O\n0.649210 0.232133 0.071332 O\n0.149210 0.767867 0.928668 O\n0.649210 0.928668 0.767867 O\n0.078242 0.099703 0.900297 O\n0.578242 0.900297 0.099703 O\n",
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{
"id": "mp-1195226",
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"structure_string": "Pb8 Br6 N2 O32\n1.0\n8.584511 3.819818 0.000000\n-8.584511 3.819818 0.000000\n0.000000 0.326809 13.027921\nPb Br N O\n8 6 2 32\ndirect\n0.961293 0.024101 0.323689 Pb\n0.024101 0.961293 0.823689 Pb\n0.093762 0.837515 0.110003 Pb\n0.837515 0.093762 0.610003 Pb\n0.589828 0.502909 0.225853 Pb\n0.502909 0.589828 0.725853 Pb\n0.028987 0.681522 0.388250 Pb\n0.681522 0.028987 0.888250 Pb\n0.508456 0.881752 0.182407 Br\n0.881752 0.508456 0.682407 Br\n0.339907 0.573810 0.470890 Br\n0.573810 0.339907 0.970890 Br\n0.078129 0.299852 0.090790 Br\n0.299852 0.078129 0.590790 Br\n0.156598 0.616613 0.906882 N\n0.616613 0.156598 0.406882 N\n0.265958 0.742255 0.199638 O\n0.742255 0.265958 0.699638 O\n0.566778 0.817530 0.284903 O\n0.817530 0.566778 0.784903 O\n0.526162 0.789399 0.079232 O\n0.789399 0.526162 0.579232 O\n0.554064 0.690493 0.527998 O\n0.690493 0.554064 0.027998 O\n0.184078 0.483392 0.572493 O\n0.483392 0.184078 0.072493 O\n0.289537 0.385643 0.413097 O\n0.385643 0.289537 0.913097 O\n0.967145 0.123535 0.003235 O\n0.123535 0.967145 0.503235 O\n0.191077 0.255109 0.168873 O\n0.255109 0.191077 0.668873 O\n0.903864 0.248284 0.166388 O\n0.248284 0.903864 0.666388 O\n0.850419 0.824351 0.182267 O\n0.824351 0.850419 0.682267 O\n0.139824 0.940703 0.279602 O\n0.940703 0.139824 0.779602 O\n0.883262 0.578377 0.223605 O\n0.578377 0.883262 0.723605 O\n0.793698 0.692915 0.367190 O\n0.692915 0.793698 0.867190 O\n0.543769 0.199637 0.348483 O\n0.199637 0.543769 0.848483 O\n0.797508 0.263953 0.410836 O\n0.263953 0.797508 0.910836 O\n0.510563 0.006464 0.462669 O\n0.006464 0.510563 0.962669 O\n",
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{
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