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{
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{
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"structure_string": "La3 Mg2 W1 S8\n1.0\n7.036118 -0.000215 4.062494\n2.345149 6.358366 4.062493\n0.000039 0.000039 8.124922\nLa Mg W S\n3 2 1 8\ndirect\n0.499998 0.500028 0.499979 La\n0.500000 0.499995 0.000002 La\n0.000002 0.499983 0.500010 La\n0.874096 0.877722 0.874088 Mg\n0.125899 0.122286 0.125910 Mg\n0.500004 -0.000002 0.500002 W\n0.728087 0.780108 0.728078 S\n0.271921 0.219889 0.736267 S\n0.251965 0.744129 0.251944 S\n0.736273 0.219908 0.271909 S\n0.748012 0.255865 0.748047 S\n0.263729 0.780092 0.728093 S\n0.271916 0.219879 0.271937 S\n0.728102 0.780114 0.263734 S\n",
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},
{
"id": "mp-12855",
"created_at": "2022-09-04T14:42:54.783101Z",
"structure_string": "Cu2 Hg1 Ge1 Se4\n1.0\n-2.930574 2.930574 5.603068\n2.930574 -2.930574 5.603068\n2.930574 2.930574 -5.603068\nCu Hg Ge Se\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.000000 Ge\n0.407774 0.407774 0.540572 Se\n0.132798 0.592226 0.000000 Se\n0.592226 0.132798 0.000000 Se\n0.867202 0.867202 0.459428 Se\n",
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],
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},
{
"id": "mp-531991",
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"structure_string": "La6 Zr8 F47\n1.0\n6.405263 8.960575 0.000000\n-6.405263 8.960575 0.000000\n0.000000 8.862967 9.079323\nLa Zr F\n6 8 47\ndirect\n0.244712 0.248869 0.380050 La\n0.376913 0.878856 0.123475 La\n0.751131 0.755288 0.619950 La\n0.621806 0.378194 0.500000 La\n0.121144 0.623087 0.876525 La\n0.877271 0.122729 0.000000 La\n0.842058 0.000049 0.751409 Zr\n0.508475 0.353017 0.909742 Zr\n0.344201 0.997660 0.751686 Zr\n0.002340 0.655799 0.248314 Zr\n0.999951 0.157942 0.248591 Zr\n0.154138 0.501826 0.593349 Zr\n0.498174 0.845862 0.406651 Zr\n0.646983 0.491525 0.090258 Zr\n0.352723 0.022035 0.380579 F\n0.014247 0.149768 0.598382 F\n0.173144 0.404952 0.486381 F\n0.470883 0.339150 0.273700 F\n0.257486 0.684618 0.391466 F\n0.687233 0.227039 0.931978 F\n0.152348 0.482926 0.251008 F\n0.497368 0.857354 0.239117 F\n0.548720 0.451280 0.000000 F\n0.488940 0.659398 0.107715 F\n0.183436 0.763045 0.165463 F\n0.155234 0.990484 0.245347 F\n0.660850 0.529117 0.726300 F\n0.100249 0.181202 0.331622 F\n0.635925 0.925195 0.927931 F\n0.977965 0.647277 0.619421 F\n0.418779 0.144814 0.024618 F\n0.818798 0.899751 0.668378 F\n0.360441 0.997481 0.906261 F\n0.517074 0.847652 0.748992 F\n0.906678 0.684237 0.426884 F\n0.236955 0.816564 0.834537 F\n0.740194 0.180000 0.647797 F\n0.074805 0.364075 0.072070 F\n0.595048 0.826856 0.513619 F\n0.140115 0.080935 0.848037 F\n0.850232 0.985753 0.401618 F\n0.509083 0.362052 0.736490 F\n0.340602 0.511060 0.892285 F\n0.002519 0.639559 0.093739 F\n0.508212 0.155505 0.602040 F\n0.315763 0.093322 0.573116 F\n0.919065 0.859885 0.151963 F\n0.820000 0.259806 0.352203 F\n0.142646 0.502632 0.760883 F\n0.844495 0.491788 0.397960 F\n0.658421 0.007530 0.234927 F\n0.359851 0.419329 0.566848 F\n0.002537 0.135497 0.096860 F\n0.315382 0.742514 0.608534 F\n0.580671 0.640149 0.433152 F\n0.637948 0.490917 0.263510 F\n0.009516 0.844766 0.754653 F\n0.864503 0.997463 0.903140 F\n0.772961 0.312767 0.068022 F\n0.855186 0.581221 0.975382 F\n0.992470 0.341579 0.765073 F\n",
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"volume": 1042.2125728203546,
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"formula_full": "La6 Zr8 F47",
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{
"id": "mp-662570",
"created_at": "2022-09-04T14:42:54.794757Z",
"structure_string": "Ba8 B16 F64\n1.0\n16.594288 0.000000 0.000000\n0.000000 8.479062 0.000000\n0.000000 4.714102 9.932215\nBa B F\n8 16 64\ndirect\n0.904060 0.521311 0.736338 Ba\n0.157176 0.999453 0.725920 Ba\n0.342824 0.999453 0.225920 Ba\n0.657176 0.000547 0.774080 Ba\n0.595940 0.521311 0.236338 Ba\n0.842824 0.000547 0.274080 Ba\n0.095940 0.478689 0.263662 Ba\n0.404060 0.478689 0.763662 Ba\n0.754354 0.279052 0.934619 B\n0.008857 0.759943 0.437075 B\n0.491143 0.759943 0.937075 B\n0.237370 0.247098 0.929661 B\n0.254354 0.720948 0.565381 B\n0.245646 0.720948 0.065381 B\n0.262630 0.247098 0.429661 B\n0.508857 0.240057 0.062925 B\n0.507416 0.238916 0.575384 B\n0.745646 0.279052 0.434619 B\n0.492584 0.761084 0.424616 B\n0.737370 0.752902 0.570339 B\n0.992584 0.238916 0.075384 B\n0.007416 0.761084 0.924616 B\n0.991143 0.240057 0.562925 B\n0.762630 0.752902 0.070339 B\n0.570950 0.691247 0.932043 F\n0.438467 0.717416 0.855072 F\n0.684870 0.828125 0.078001 F\n0.000880 0.940335 0.391897 F\n0.192887 0.760684 0.636927 F\n0.762792 0.460218 0.890490 F\n0.519471 0.059268 0.615200 F\n0.287477 0.164433 0.566126 F\n0.929050 0.691247 0.432043 F\n0.750569 0.574526 0.112464 F\n0.070950 0.308753 0.567957 F\n0.557175 0.731136 0.351620 F\n0.329704 0.785801 0.592015 F\n0.262792 0.539782 0.609510 F\n0.992331 0.672795 0.064749 F\n0.317490 0.212571 0.345922 F\n0.466192 0.678611 0.073713 F\n0.579967 0.306966 0.607193 F\n0.499120 0.940335 0.891897 F\n0.429050 0.308753 0.067957 F\n0.480529 0.940732 0.384800 F\n0.807113 0.239316 0.363073 F\n0.170296 0.785801 0.092015 F\n0.492331 0.327205 0.435251 F\n0.315130 0.171875 0.921999 F\n0.007669 0.327205 0.935251 F\n0.815130 0.828125 0.578001 F\n0.761490 0.194341 0.575126 F\n0.238510 0.805659 0.424874 F\n0.442825 0.268864 0.648380 F\n0.561533 0.282584 0.144928 F\n0.250569 0.425474 0.387536 F\n0.237208 0.539782 0.109510 F\n0.980529 0.059268 0.115200 F\n0.212523 0.164433 0.066126 F\n0.670296 0.214199 0.407985 F\n0.420033 0.693034 0.392807 F\n0.500880 0.059665 0.108103 F\n0.019471 0.940732 0.884800 F\n0.057175 0.268864 0.148380 F\n0.261490 0.805659 0.924874 F\n0.182510 0.212571 0.845922 F\n0.920033 0.306966 0.107193 F\n0.817490 0.787429 0.154078 F\n0.692887 0.239316 0.863073 F\n0.682510 0.787429 0.654078 F\n0.999120 0.059665 0.608103 F\n0.938467 0.282584 0.644928 F\n0.942825 0.731136 0.851620 F\n0.079967 0.693034 0.892807 F\n0.533808 0.321389 0.926287 F\n0.033808 0.678611 0.573713 F\n0.061533 0.717416 0.355072 F\n0.184870 0.171875 0.421999 F\n0.712523 0.835567 0.433874 F\n0.307113 0.760684 0.136927 F\n0.738510 0.194341 0.075126 F\n0.249431 0.425474 0.887536 F\n0.737208 0.460218 0.390490 F\n0.787477 0.835567 0.933874 F\n0.507669 0.672795 0.564749 F\n0.966192 0.321389 0.426287 F\n0.829704 0.214199 0.907985 F\n0.749431 0.574526 0.612464 F\n",
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{
"id": "mp-1198901",
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"structure_string": "Cs4 Cu2 H16 Se4 O24\n1.0\n8.106235 0.000000 0.000000\n0.000000 7.560788 0.000000\n0.000000 4.054234 11.350734\nCs Cu H Se O\n4 2 16 4 24\ndirect\n0.887811 0.285698 0.258307 Cs\n0.612189 0.285698 0.758307 Cs\n0.112189 0.714302 0.741693 Cs\n0.387811 0.714302 0.241693 Cs\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.451305 0.189392 0.280677 H\n0.048695 0.189392 0.780677 H\n0.548695 0.810608 0.719323 H\n0.951305 0.810608 0.219323 H\n0.341000 0.267151 0.368609 H\n0.159000 0.267151 0.868609 H\n0.659000 0.732849 0.631391 H\n0.841000 0.732849 0.131391 H\n0.849398 0.166090 0.568302 H\n0.650602 0.166090 0.068302 H\n0.150602 0.833910 0.431698 H\n0.349398 0.833910 0.931698 H\n0.728593 0.317912 0.486685 H\n0.771407 0.317912 0.986685 H\n0.271407 0.682088 0.513315 H\n0.228593 0.682088 0.013315 H\n0.288318 0.266842 0.069145 Se\n0.211682 0.266842 0.569145 Se\n0.711682 0.733158 0.930855 Se\n0.788318 0.733158 0.430855 Se\n0.228175 0.443582 0.112703 O\n0.271825 0.443582 0.612703 O\n0.771825 0.556418 0.887297 O\n0.728175 0.556418 0.387297 O\n0.676684 0.663020 0.076082 O\n0.823316 0.663020 0.576082 O\n0.323316 0.336980 0.923918 O\n0.176684 0.336980 0.423918 O\n0.957570 0.834141 0.354857 O\n0.542430 0.834141 0.854857 O\n0.042430 0.165859 0.645143 O\n0.457570 0.165859 0.145143 O\n0.636926 0.899062 0.393946 O\n0.863074 0.899062 0.893946 O\n0.363074 0.100938 0.606054 O\n0.136926 0.100938 0.106054 O\n0.452567 0.217878 0.356273 O\n0.047433 0.217878 0.856273 O\n0.547433 0.782122 0.643727 O\n0.952567 0.782122 0.143727 O\n0.737587 0.182863 0.534189 O\n0.762413 0.182863 0.034189 O\n0.262413 0.817137 0.465811 O\n0.237587 0.817137 0.965811 O\n",
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{
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"structure_string": "Tm1 Mn6 Al6\n1.0\n-2.464682 4.280269 4.368117\n2.464682 -4.280269 4.368117\n2.464682 4.280269 -4.368117\nTm Mn Al\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.236133 0.500000 0.736133 Mn\n0.763867 0.500000 0.263867 Mn\n0.346065 0.346065 0.000000 Al\n0.653935 0.653935 0.000000 Al\n0.663283 0.000000 0.663283 Al\n0.336717 0.000000 0.336717 Al\n0.805477 0.305477 0.500000 Al\n0.194523 0.694523 0.500000 Al\n",
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{
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{
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}