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{
"id": "mp-1214308",
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"structure_string": "Ce12 Cr4 S24\n1.0\n3.877683 0.000000 0.000000\n0.000000 13.506980 0.000000\n0.000000 0.000000 16.118902\nCe Cr S\n12 4 24\ndirect\n0.000000 0.549971 0.285428 Ce\n0.000000 0.450029 0.714572 Ce\n0.500000 0.950029 0.785428 Ce\n0.500000 0.049971 0.214572 Ce\n0.000000 0.757972 0.098198 Ce\n0.000000 0.242028 0.901802 Ce\n0.500000 0.742028 0.598198 Ce\n0.500000 0.257972 0.401802 Ce\n0.000000 0.320116 0.147540 Ce\n0.000000 0.679884 0.852460 Ce\n0.500000 0.179884 0.647540 Ce\n0.500000 0.820116 0.352460 Ce\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.122800 0.101801 S\n0.000000 0.877200 0.898199 S\n0.500000 0.377200 0.601801 S\n0.500000 0.622800 0.398199 S\n0.000000 0.186001 0.289160 S\n0.000000 0.813999 0.710840 S\n0.500000 0.313999 0.789160 S\n0.500000 0.686001 0.210840 S\n0.000000 0.178622 0.519632 S\n0.000000 0.821378 0.480368 S\n0.500000 0.321378 0.019632 S\n0.500000 0.678622 0.980368 S\n0.000000 0.523903 0.095993 S\n0.000000 0.476097 0.904007 S\n0.500000 0.976097 0.595993 S\n0.500000 0.023903 0.404007 S\n0.000000 0.099791 0.752897 S\n0.000000 0.900209 0.247103 S\n0.500000 0.400209 0.252897 S\n0.500000 0.599791 0.747103 S\n0.000000 0.415186 0.427369 S\n0.000000 0.584814 0.572631 S\n0.500000 0.084814 0.927369 S\n0.500000 0.915186 0.072631 S\n",
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"spacegroup": 58
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{
"id": "mp-1207947",
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"structure_string": "Tm4 Zn4 Ge4\n1.0\n2.114653 -3.662686 0.000000\n2.114653 3.662686 0.000000\n0.000000 0.000000 15.266704\nTm Zn Ge\n4 4 4\ndirect\n0.000000 0.000000 0.250000 Tm\n0.000000 0.000000 0.750000 Tm\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666667 0.150046 Zn\n0.666667 0.333333 0.849954 Zn\n0.666667 0.333333 0.650046 Zn\n0.333333 0.666667 0.349954 Zn\n0.333333 0.666667 0.611090 Ge\n0.666667 0.333333 0.388910 Ge\n0.666667 0.333333 0.111090 Ge\n0.333333 0.666667 0.888910 Ge\n",
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{
"id": "mp-1026723",
"created_at": "2022-09-04T14:46:57.538919Z",
"structure_string": "Ce1 Mg14 Cr1\n1.0\n6.479756 0.000000 -0.000000\n-3.239878 5.611633 0.000000\n0.000000 -0.000000 10.269637\nCe Mg Cr\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ce\n0.180153 0.840076 0.125000 Mg\n0.164501 0.832250 0.625000 Mg\n0.659924 0.319847 0.125000 Mg\n0.667750 0.335499 0.625000 Mg\n0.659924 0.840076 0.125000 Mg\n0.667750 0.832250 0.625000 Mg\n0.331617 0.168383 0.385151 Mg\n0.331617 0.168383 0.864849 Mg\n0.331617 0.663235 0.385151 Mg\n0.331617 0.663235 0.864849 Mg\n0.836765 0.168383 0.385151 Mg\n0.836765 0.168383 0.864849 Mg\n0.833333 0.666667 0.365028 Mg\n0.833333 0.666667 0.884972 Mg\n0.166667 0.333333 0.625000 Cr\n",
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{
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"structure_string": "Sr6 La4 Mn12 O24 F12\n1.0\n5.824244 -0.140783 0.000160\n-0.139444 5.814585 0.004733\n-0.060380 0.023625 22.828763\nSr La Mn O F\n6 4 12 24 12\ndirect\n0.031727 0.511185 0.084886 Sr\n0.020064 0.514467 0.416960 Sr\n0.018277 0.513167 0.743976 Sr\n0.508554 0.006260 0.091168 Sr\n0.502489 0.007383 0.424874 Sr\n0.476876 0.995160 0.738695 Sr\n0.454896 0.005389 0.920898 La\n0.966814 0.481246 0.248253 La\n0.972343 0.480879 0.583206 La\n0.969613 0.507045 0.919609 La\n0.003498 0.992027 0.001877 Mn\n0.032392 0.994464 0.170627 Mn\n0.993360 0.983516 0.332500 Mn\n0.034202 0.995434 0.501922 Mn\n0.003719 0.998516 0.662304 Mn\n0.466970 0.506102 0.170509 Mn\n0.467253 0.508309 0.501589 Mn\n0.475570 0.493564 0.831568 Mn\n0.487067 0.511551 0.001064 Mn\n0.514887 0.519149 0.331976 Mn\n0.502036 0.498053 0.662394 Mn\n0.024984 0.001222 0.831296 Mn\n0.983020 0.074830 0.252059 O\n0.972884 0.070000 0.581364 O\n0.995627 0.081648 0.915373 O\n0.218069 0.726007 0.982871 O\n0.206423 0.709186 0.179153 O\n0.193782 0.709843 0.512634 O\n0.205929 0.723764 0.851828 O\n0.282740 0.223300 0.005741 O\n0.248824 0.249868 0.157576 O\n0.258200 0.252978 0.489809 O\n0.221699 0.279860 0.670777 O\n0.314119 0.204511 0.826698 O\n0.477293 0.571694 0.085438 O\n0.476167 0.576025 0.415551 O\n0.477599 0.564586 0.749560 O\n0.548480 0.442742 0.581063 O\n0.540897 0.441424 0.250990 O\n0.543594 0.421821 0.915388 O\n0.802430 0.698546 0.326510 O\n0.799040 0.702698 0.660480 O\n0.721892 0.772126 0.985377 O\n0.030197 0.943583 0.416295 O\n0.993299 0.943416 0.085367 O\n0.023422 0.940748 0.749670 O\n0.243653 0.728445 0.315819 F\n0.267337 0.761296 0.652949 F\n0.236328 0.265383 0.342349 F\n0.740923 0.754783 0.175733 F\n0.722733 0.765638 0.504530 F\n0.708979 0.775889 0.845907 F\n0.776168 0.277394 0.014069 F\n0.765249 0.284501 0.153768 F\n0.747101 0.237696 0.352725 F\n0.776939 0.277875 0.485176 F\n0.745838 0.239710 0.684101 F\n0.807531 0.282297 0.819817 F\n",
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"volume": 772.6601694798427,
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"formula_full": "Sr6 La4 Mn12 O24 F12",
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{
"id": "mp-14691",
"created_at": "2022-09-04T14:46:58.651107Z",
"structure_string": "Na4 Er4 P16 O48\n1.0\n13.200633 0.000000 0.000000\n0.000000 7.250637 0.000000\n0.000000 7.162484 9.765318\nNa Er P O\n4 4 16 48\ndirect\n0.223542 0.560907 0.939499 Na\n0.276458 0.560907 0.439499 Na\n0.776458 0.439093 0.060501 Na\n0.723542 0.439093 0.560501 Na\n0.722133 0.033221 0.478315 Er\n0.222133 0.966779 0.021685 Er\n0.277867 0.966779 0.521685 Er\n0.777867 0.033221 0.978315 Er\n0.115014 0.391099 0.235542 P\n0.396015 0.495293 0.255243 P\n0.103985 0.495293 0.755243 P\n0.603985 0.504707 0.744757 P\n0.615014 0.608901 0.264458 P\n0.896015 0.504707 0.244757 P\n0.384986 0.391099 0.735542 P\n0.884986 0.608901 0.764458 P\n0.627179 0.845477 0.801186 P\n0.093317 0.940339 0.292932 P\n0.406683 0.940339 0.792932 P\n0.906683 0.059661 0.707068 P\n0.127179 0.154523 0.698814 P\n0.372821 0.154523 0.198814 P\n0.872821 0.845477 0.301186 P\n0.593317 0.059661 0.207068 P\n0.650655 0.395491 0.396778 O\n0.150655 0.604509 0.103222 O\n0.349345 0.604509 0.603222 O\n0.849345 0.395491 0.896778 O\n0.663710 0.148824 0.088175 O\n0.163710 0.851176 0.411825 O\n0.336290 0.851176 0.911825 O\n0.836290 0.148824 0.588175 O\n0.833629 0.291710 0.301459 O\n0.333629 0.708290 0.198541 O\n0.166371 0.708290 0.698541 O\n0.666371 0.291710 0.801459 O\n0.885023 0.691073 0.093884 O\n0.385023 0.308927 0.406116 O\n0.114977 0.308927 0.906116 O\n0.614977 0.691073 0.593884 O\n0.614731 0.121695 0.303138 O\n0.792647 0.832972 0.393247 O\n0.114731 0.878305 0.196862 O\n0.885269 0.121695 0.803138 O\n0.865799 0.020898 0.149172 O\n0.365799 0.979102 0.350828 O\n0.134201 0.979102 0.850828 O\n0.634201 0.020898 0.649172 O\n0.518939 0.857460 0.857970 O\n0.018939 0.142540 0.642030 O\n0.481061 0.142540 0.142030 O\n0.981061 0.857460 0.357970 O\n0.987995 0.569456 0.712073 O\n0.487995 0.430544 0.787927 O\n0.012005 0.430544 0.287927 O\n0.512005 0.569456 0.212073 O\n0.626037 0.592408 0.837154 O\n0.126037 0.407592 0.662846 O\n0.373963 0.407592 0.162846 O\n0.873963 0.592408 0.337154 O\n0.918165 0.784252 0.798863 O\n0.418165 0.215748 0.701137 O\n0.081835 0.215748 0.201137 O\n0.581835 0.784252 0.298863 O\n0.814107 0.723725 0.645059 O\n0.314107 0.276275 0.854941 O\n0.185893 0.276275 0.354941 O\n0.685893 0.723725 0.145059 O\n0.707353 0.832972 0.893247 O\n0.207353 0.167028 0.606753 O\n0.292647 0.167028 0.106753 O\n0.385269 0.878305 0.696862 O\n",
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{
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{
"id": "mp-863420",
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"structure_string": "Rb16 H16 C12 O40\n1.0\n6.290333 0.000000 0.000000\n0.000000 12.468312 0.000000\n0.000000 0.000000 15.860520\nRb H C O\n16 16 12 40\ndirect\n0.189021 0.125116 0.623439 Rb\n0.189021 0.125116 0.876561 Rb\n0.179430 0.146934 0.127798 Rb\n0.179430 0.146934 0.372202 Rb\n0.679430 0.353066 0.627798 Rb\n0.679430 0.353066 0.872202 Rb\n0.689021 0.374884 0.376561 Rb\n0.689021 0.374884 0.123439 Rb\n0.310979 0.625116 0.876561 Rb\n0.310979 0.625116 0.623439 Rb\n0.320570 0.646934 0.127798 Rb\n0.320570 0.646934 0.372202 Rb\n0.820570 0.853066 0.872202 Rb\n0.820570 0.853066 0.627798 Rb\n0.810979 0.874884 0.123439 Rb\n0.810979 0.874884 0.376561 Rb\n0.705606 0.090859 0.592705 H\n0.705606 0.090859 0.907295 H\n0.628629 0.154558 0.199473 H\n0.628629 0.154558 0.300527 H\n0.128629 0.345442 0.699473 H\n0.128629 0.345442 0.800527 H\n0.205606 0.409141 0.092705 H\n0.205606 0.409141 0.407295 H\n0.794394 0.590859 0.907295 H\n0.794394 0.590859 0.592705 H\n0.871371 0.654558 0.199473 H\n0.871371 0.654558 0.300527 H\n0.371371 0.845442 0.699473 H\n0.371371 0.845442 0.800527 H\n0.294394 0.909141 0.092705 H\n0.294394 0.909141 0.407295 H\n0.719704 0.094420 0.750000 C\n0.660637 0.126728 0.028655 C\n0.660637 0.126728 0.471345 C\n0.160637 0.373272 0.528655 C\n0.160637 0.373272 0.971345 C\n0.219704 0.405580 0.250000 C\n0.780296 0.594420 0.750000 C\n0.839363 0.626728 0.028655 C\n0.839363 0.626728 0.471345 C\n0.339363 0.873272 0.528655 C\n0.339363 0.873272 0.971345 C\n0.280296 0.905580 0.250000 C\n0.880106 0.029652 0.750000 O\n0.757531 0.067009 0.532635 O\n0.757531 0.067009 0.967365 O\n0.721211 0.105295 0.103973 O\n0.721211 0.105295 0.396027 O\n0.635858 0.128711 0.679300 O\n0.635858 0.128711 0.820700 O\n0.568893 0.191347 0.250000 O\n0.523001 0.196060 0.008002 O\n0.523001 0.196060 0.491998 O\n0.023001 0.303940 0.508002 O\n0.023001 0.303940 0.991998 O\n0.068893 0.308653 0.750000 O\n0.135858 0.371289 0.179300 O\n0.135858 0.371289 0.320700 O\n0.221211 0.394705 0.603973 O\n0.221211 0.394705 0.896027 O\n0.257531 0.432991 0.032635 O\n0.257531 0.432991 0.467365 O\n0.380106 0.470348 0.250000 O\n0.619894 0.529652 0.750000 O\n0.742469 0.567009 0.967365 O\n0.742469 0.567009 0.532635 O\n0.778789 0.605295 0.103973 O\n0.778789 0.605295 0.396027 O\n0.864142 0.628711 0.820700 O\n0.864142 0.628711 0.679300 O\n0.931107 0.691347 0.250000 O\n0.976999 0.696060 0.008002 O\n0.976999 0.696060 0.491998 O\n0.476999 0.803940 0.508002 O\n0.476999 0.803940 0.991998 O\n0.431107 0.808653 0.750000 O\n0.364142 0.871289 0.179300 O\n0.364142 0.871289 0.320700 O\n0.278789 0.894705 0.896027 O\n0.278789 0.894705 0.603973 O\n0.242469 0.932991 0.032635 O\n0.242469 0.932991 0.467365 O\n0.119894 0.970348 0.250000 O\n",
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{
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