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{
"id": "mp-1210268",
"created_at": "2022-09-04T14:42:09.961484Z",
"structure_string": "Na2 Ge2 Sb10 O2\n1.0\n-3.399560 -7.211979 1.819913\n-3.399560 7.211979 1.819913\n0.358479 0.000000 -8.895053\nNa Ge Sb O\n2 2 10 2\ndirect\n0.595409 0.404591 0.750000 Na\n0.404591 0.595409 0.250000 Na\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.858352 0.141648 0.750000 Sb\n0.141648 0.858352 0.250000 Sb\n0.257941 0.837276 0.593572 Sb\n0.742059 0.162724 0.406428 Sb\n0.162724 0.742059 0.906428 Sb\n0.837276 0.257941 0.093572 Sb\n0.574135 0.781200 0.001406 Sb\n0.425865 0.218800 0.998594 Sb\n0.218800 0.425865 0.498594 Sb\n0.781200 0.574135 0.501406 Sb\n0.438496 0.561504 0.750000 O\n0.561504 0.438496 0.250000 O\n",
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{
"id": "mp-1223734",
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"structure_string": "K4 La4 Sb4 S18\n1.0\n4.135781 0.000000 0.000000\n0.000000 11.327862 0.000000\n0.000000 0.000000 17.079509\nK La Sb S\n4 4 4 18\ndirect\n0.500000 0.718321 0.057450 K\n0.500000 0.281679 0.942550 K\n0.500000 0.218321 0.442550 K\n0.500000 0.781679 0.557450 K\n0.500000 0.883536 0.294704 La\n0.500000 0.116464 0.705296 La\n0.500000 0.383536 0.205296 La\n0.500000 0.616464 0.794704 La\n0.000000 0.552490 0.383775 Sb\n0.000000 0.447510 0.616225 Sb\n0.000000 0.052490 0.116225 Sb\n0.000000 0.947510 0.883775 Sb\n0.000000 0.850477 0.172483 S\n0.000000 0.149523 0.827517 S\n0.000000 0.350477 0.327517 S\n0.000000 0.649523 0.672483 S\n0.000000 0.828837 0.411860 S\n0.000000 0.171163 0.588140 S\n0.000000 0.328837 0.088140 S\n0.000000 0.671163 0.911860 S\n0.500000 0.500000 0.500000 S\n0.500000 0.000000 0.000000 S\n0.000000 0.508477 0.120823 S\n0.000000 0.491523 0.879177 S\n0.000000 0.008477 0.379177 S\n0.000000 0.991523 0.620823 S\n0.500000 0.614075 0.288199 S\n0.500000 0.385925 0.711801 S\n0.500000 0.114075 0.211801 S\n0.500000 0.885925 0.788199 S\n",
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"formula_full": "K4 La4 Sb4 S18",
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{
"id": "mp-1207802",
"created_at": "2022-09-04T14:46:11.995113Z",
"structure_string": "Y16 Cd4 Ir4\n1.0\n0.000000 6.840306 6.840306\n6.840306 0.000000 6.840306\n6.840306 6.840306 0.000000\nY Cd Ir\n16 4 4\ndirect\n0.349530 0.349530 0.349530 Y\n0.349530 0.349530 0.951410 Y\n0.349530 0.951410 0.349530 Y\n0.951410 0.349530 0.349530 Y\n0.810959 0.189041 0.189041 Y\n0.189041 0.810959 0.810959 Y\n0.189041 0.810959 0.189041 Y\n0.810959 0.189041 0.810959 Y\n0.189041 0.189041 0.810959 Y\n0.810959 0.810959 0.189041 Y\n0.937077 0.562923 0.562923 Y\n0.562923 0.937077 0.937077 Y\n0.562923 0.937077 0.562923 Y\n0.937077 0.562923 0.937077 Y\n0.562923 0.562923 0.937077 Y\n0.937077 0.937077 0.562923 Y\n0.580338 0.580338 0.580338 Cd\n0.580338 0.580338 0.258987 Cd\n0.580338 0.258987 0.580338 Cd\n0.258987 0.580338 0.580338 Cd\n0.141650 0.141650 0.141650 Ir\n0.141650 0.141650 0.575050 Ir\n0.141650 0.575050 0.141650 Ir\n0.575050 0.141650 0.141650 Ir\n",
"nsites": 24,
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"density_atomic": 0.03749338533468009,
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"formula_full": "Y16 Cd4 Ir4",
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"updated_at": "2021-11-28T01:37:25.604000Z",
"spacegroup": 216
},
{
"id": "mp-1187786",
"created_at": "2022-09-04T14:44:42.317820Z",
"structure_string": "Y3 Ge1\n1.0\n-2.265394 2.265394 5.197020\n2.265394 -2.265394 5.197020\n2.265394 2.265394 -5.197020\nY Ge\n3 1\ndirect\n0.750000 0.250000 0.500000 Y\n0.250000 0.750000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Ge\n",
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"density": 5.282077170659041,
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"updated_at": "2021-11-28T01:36:40.794000Z",
"spacegroup": 139
},
{
"id": "mp-569822",
"created_at": "2022-09-04T14:42:53.202799Z",
"structure_string": "Bi4 W24 Cl60\n1.0\n6.708280 6.545337 0.000000\n-6.708280 6.545337 0.000000\n0.000000 0.871665 26.726953\nBi W Cl\n4 24 60\ndirect\n0.241015 0.330646 0.608555 Bi\n0.330645 0.241015 0.108555 Bi\n0.758985 0.669354 0.391445 Bi\n0.669354 0.758985 0.891445 Bi\n0.231992 0.182812 0.301815 W\n0.323826 0.204035 0.436312 W\n0.559833 0.697069 0.648254 W\n0.915858 0.885163 0.112991 W\n0.817188 0.768008 0.198185 W\n0.114837 0.084142 0.387009 W\n0.204035 0.323826 0.936312 W\n0.768008 0.817188 0.698185 W\n0.697069 0.559833 0.148254 W\n0.173112 0.359593 0.374084 W\n0.676174 0.795965 0.563688 W\n0.084142 0.114837 0.887009 W\n0.973587 0.619311 0.136070 W\n0.380689 0.026413 0.363930 W\n0.440167 0.302931 0.351746 W\n0.026413 0.380689 0.863930 W\n0.359593 0.173112 0.874084 W\n0.182812 0.231992 0.801815 W\n0.795965 0.676174 0.063688 W\n0.302931 0.440167 0.851746 W\n0.619311 0.973587 0.636070 W\n0.826888 0.640407 0.625916 W\n0.885163 0.915858 0.612991 W\n0.640407 0.826888 0.125916 W\n0.790000 0.602885 0.975177 Cl\n0.978705 0.236096 0.327159 Cl\n0.397115 0.210000 0.524823 Cl\n0.021295 0.763904 0.672841 Cl\n0.058178 0.735171 0.054856 Cl\n0.169179 0.171865 0.713508 Cl\n0.210000 0.397115 0.024823 Cl\n0.375867 0.464877 0.421436 Cl\n0.901742 0.939915 0.416107 Cl\n0.503453 0.206806 0.647109 Cl\n0.759480 0.467006 0.455331 Cl\n0.127906 0.489491 0.784012 Cl\n0.575636 0.147846 0.410346 Cl\n0.922975 0.176112 0.816942 Cl\n0.830821 0.828135 0.286492 Cl\n0.424364 0.852154 0.589654 Cl\n0.176112 0.922975 0.316942 Cl\n0.656228 0.456350 0.327069 Cl\n0.206806 0.503453 0.147109 Cl\n0.624133 0.535123 0.578564 Cl\n0.445308 0.290712 0.793119 Cl\n0.147846 0.575636 0.910346 Cl\n0.236096 0.978705 0.827159 Cl\n0.823888 0.077025 0.683058 Cl\n0.171865 0.169179 0.213508 Cl\n0.554692 0.709288 0.206881 Cl\n0.456350 0.656228 0.827069 Cl\n0.941822 0.264829 0.945144 Cl\n0.930941 0.740114 0.545093 Cl\n0.793194 0.496547 0.852891 Cl\n0.602885 0.790000 0.475177 Cl\n0.535123 0.624133 0.078564 Cl\n0.044862 0.592729 0.375207 Cl\n0.290712 0.445308 0.293119 Cl\n0.592729 0.044862 0.875207 Cl\n0.240520 0.532994 0.544669 Cl\n0.709288 0.554692 0.706881 Cl\n0.496547 0.793194 0.352891 Cl\n0.098258 0.060085 0.583893 Cl\n0.464877 0.375867 0.921436 Cl\n0.939915 0.901742 0.916107 Cl\n0.735171 0.058178 0.554856 Cl\n0.763904 0.021295 0.172841 Cl\n0.532994 0.240520 0.044669 Cl\n0.852154 0.424364 0.089654 Cl\n0.407271 0.955138 0.124793 Cl\n0.264829 0.941822 0.445144 Cl\n0.077025 0.823888 0.183058 Cl\n0.069059 0.259886 0.454907 Cl\n0.060085 0.098258 0.083893 Cl\n0.510509 0.872094 0.715988 Cl\n0.828135 0.830821 0.786492 Cl\n0.489491 0.127906 0.284012 Cl\n0.343772 0.543650 0.672931 Cl\n0.955138 0.407271 0.624793 Cl\n0.543650 0.343772 0.172931 Cl\n0.872094 0.510509 0.215988 Cl\n0.259886 0.069059 0.954907 Cl\n0.740114 0.930941 0.045093 Cl\n0.467006 0.759480 0.955331 Cl\n",
"nsites": 88,
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"elements": [
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"density": 5.217997751864626,
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"formula_full": "Bi4 W24 Cl60",
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{
"id": "mp-1193516",
"created_at": "2022-09-04T14:40:23.316634Z",
"structure_string": "Eu12 Sn8 Pd8\n1.0\n6.011944 0.000000 0.000000\n0.000000 8.812027 0.000000\n0.000000 0.000000 14.095126\nEu Sn Pd\n12 8 8\ndirect\n0.145905 0.392881 0.598379 Eu\n0.854095 0.607119 0.098379 Eu\n0.145905 0.107119 0.401621 Eu\n0.854095 0.892881 0.901621 Eu\n0.854095 0.607119 0.401621 Eu\n0.145905 0.392881 0.901621 Eu\n0.854095 0.892881 0.598379 Eu\n0.145905 0.107119 0.098379 Eu\n0.646401 0.250548 0.750000 Eu\n0.353599 0.749452 0.250000 Eu\n0.646401 0.249452 0.250000 Eu\n0.353599 0.750548 0.750000 Eu\n0.643205 0.250000 0.500000 Sn\n0.356795 0.750000 0.000000 Sn\n0.356795 0.750000 0.500000 Sn\n0.643205 0.250000 0.000000 Sn\n0.149950 0.102139 0.750000 Sn\n0.850050 0.897861 0.250000 Sn\n0.149950 0.397861 0.250000 Sn\n0.850050 0.602139 0.750000 Sn\n0.381027 0.032401 0.588724 Pd\n0.618973 0.967599 0.088724 Pd\n0.381027 0.467599 0.411276 Pd\n0.618973 0.532401 0.911276 Pd\n0.618973 0.967599 0.411276 Pd\n0.381027 0.032401 0.911276 Pd\n0.618973 0.532401 0.588724 Pd\n0.381027 0.467599 0.088724 Pd\n",
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{
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"structure_string": "Tl4 P4 Pb4 S16\n1.0\n6.664624 0.000000 0.000000\n0.000000 8.946710 0.000000\n0.000000 0.000000 12.523107\nTl P Pb S\n4 4 4 16\ndirect\n0.750000 0.629091 0.391704 Tl\n0.250000 0.370909 0.608296 Tl\n0.250000 0.129091 0.108296 Tl\n0.750000 0.870909 0.891704 Tl\n0.250000 0.873397 0.346922 P\n0.750000 0.126603 0.653078 P\n0.750000 0.373397 0.153078 P\n0.250000 0.626603 0.846922 P\n0.250000 0.895146 0.629601 Pb\n0.750000 0.104854 0.370399 Pb\n0.750000 0.395146 0.870399 Pb\n0.250000 0.604854 0.129601 Pb\n0.250000 0.694770 0.450237 S\n0.750000 0.305230 0.549763 S\n0.750000 0.194770 0.049763 S\n0.250000 0.805230 0.950237 S\n0.250000 0.071791 0.430914 S\n0.750000 0.928209 0.569086 S\n0.750000 0.571791 0.069086 S\n0.250000 0.428209 0.930914 S\n0.003992 0.863358 0.248497 S\n0.503992 0.136642 0.751503 S\n0.996008 0.363358 0.251503 S\n0.496008 0.636642 0.748497 S\n0.996008 0.136642 0.751503 S\n0.496008 0.863358 0.248497 S\n0.003992 0.636642 0.748497 S\n0.503992 0.363358 0.251503 S\n",
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{
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{
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"structure_string": "Rb4 Eu4 Si4 S16\n1.0\n6.491549 0.000000 0.000000\n0.000000 6.670607 0.000000\n0.000000 0.000000 17.243307\nRb Eu Si S\n4 4 4 16\ndirect\n0.015051 0.995330 0.967112 Rb\n0.515051 0.504670 0.032888 Rb\n0.484949 0.004670 0.467112 Rb\n0.984949 0.495330 0.532888 Rb\n0.708753 0.519971 0.773880 Eu\n0.791247 0.480029 0.273880 Eu\n0.291247 0.019971 0.726120 Eu\n0.208753 0.980029 0.226120 Eu\n0.789811 0.987933 0.662643 Si\n0.710189 0.012067 0.162643 Si\n0.210189 0.487933 0.837357 Si\n0.289811 0.512067 0.337357 Si\n0.924444 0.246447 0.140507 S\n0.605667 0.248375 0.647228 S\n0.545957 0.508944 0.411544 S\n0.382587 0.555870 0.220547 S\n0.894333 0.751625 0.147228 S\n0.424444 0.253553 0.859493 S\n0.117413 0.444130 0.720547 S\n0.394333 0.748375 0.852772 S\n0.075556 0.746447 0.359493 S\n0.882587 0.944130 0.779453 S\n0.954043 0.491056 0.911544 S\n0.617413 0.055870 0.279453 S\n0.575556 0.753553 0.640507 S\n0.105667 0.251625 0.352772 S\n0.454043 0.008944 0.088456 S\n0.045957 0.991056 0.588456 S\n",
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{
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}