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{
"id": "mp-18660",
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"structure_string": "Sr4 Sc8 Te16\n1.0\n4.258945 0.000000 0.000000\n0.000000 13.307240 0.000000\n0.000000 0.000000 15.474038\nSr Sc Te\n4 8 16\ndirect\n0.250000 0.238278 0.326524 Sr\n0.750000 0.761722 0.673476 Sr\n0.250000 0.738278 0.173476 Sr\n0.750000 0.261722 0.826524 Sr\n0.250000 0.553568 0.388112 Sc\n0.750000 0.446432 0.611888 Sc\n0.250000 0.053568 0.111888 Sc\n0.750000 0.946432 0.888112 Sc\n0.750000 0.415848 0.093873 Sc\n0.250000 0.584152 0.906127 Sc\n0.750000 0.915848 0.406127 Sc\n0.250000 0.084152 0.593873 Sc\n0.750000 0.407308 0.426506 Te\n0.250000 0.592692 0.573494 Te\n0.750000 0.907308 0.073494 Te\n0.250000 0.092692 0.926506 Te\n0.750000 0.202004 0.157231 Te\n0.250000 0.797996 0.842769 Te\n0.750000 0.702004 0.342769 Te\n0.250000 0.297996 0.657231 Te\n0.750000 0.124403 0.467686 Te\n0.250000 0.875597 0.532314 Te\n0.750000 0.624403 0.032314 Te\n0.250000 0.375597 0.967686 Te\n0.750000 0.031937 0.714156 Te\n0.250000 0.968063 0.285844 Te\n0.750000 0.531937 0.785844 Te\n0.250000 0.468063 0.214156 Te\n",
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{
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"created_at": "2022-09-04T14:44:52.576606Z",
"structure_string": "Bi24 Mo8 O60\n1.0\n5.745678 0.000000 0.000000\n0.000000 8.782741 0.000000\n0.000000 4.099329 29.149370\nBi Mo O\n24 8 60\ndirect\n0.272330 0.427566 0.608768 Bi\n0.772330 0.572434 0.891232 Bi\n0.727670 0.572434 0.391232 Bi\n0.227670 0.427566 0.108768 Bi\n0.245467 0.765042 0.667066 Bi\n0.745467 0.234958 0.832934 Bi\n0.754533 0.234958 0.332934 Bi\n0.254533 0.765042 0.167066 Bi\n0.241982 0.187332 0.740718 Bi\n0.741982 0.812668 0.759282 Bi\n0.758018 0.812668 0.259282 Bi\n0.258018 0.187332 0.240718 Bi\n0.183464 0.538983 0.796501 Bi\n0.683464 0.461017 0.703499 Bi\n0.816536 0.461017 0.203499 Bi\n0.316536 0.538983 0.296501 Bi\n0.271512 0.290952 0.922599 Bi\n0.771512 0.709048 0.577401 Bi\n0.728488 0.709048 0.077401 Bi\n0.228488 0.290952 0.422599 Bi\n0.248122 0.634591 0.985658 Bi\n0.748122 0.365409 0.514342 Bi\n0.751878 0.365409 0.014342 Bi\n0.251878 0.634591 0.485658 Bi\n0.260597 0.036459 0.549188 Mo\n0.760597 0.963541 0.950812 Mo\n0.739403 0.963541 0.450812 Mo\n0.239403 0.036459 0.049188 Mo\n0.222669 0.913044 0.853473 Mo\n0.722669 0.086956 0.646527 Mo\n0.777331 0.086956 0.146527 Mo\n0.277331 0.913044 0.353473 Mo\n0.511500 0.656572 0.727410 O\n0.011500 0.343428 0.772590 O\n0.488500 0.343428 0.272590 O\n0.988500 0.656572 0.227410 O\n0.031160 0.694082 0.729053 O\n0.531160 0.305918 0.770947 O\n0.968840 0.305918 0.270947 O\n0.468840 0.694082 0.229053 O\n0.522046 0.594142 0.634690 O\n0.022046 0.405858 0.865310 O\n0.477954 0.405858 0.365310 O\n0.977954 0.594142 0.134690 O\n0.034762 0.608949 0.631071 O\n0.534762 0.391051 0.868929 O\n0.965238 0.391051 0.368929 O\n0.465238 0.608949 0.131071 O\n0.484113 0.529601 0.544633 O\n0.984113 0.470399 0.955367 O\n0.515887 0.470399 0.455367 O\n0.015887 0.529601 0.044633 O\n0.976467 0.541459 0.541973 O\n0.476467 0.458541 0.958027 O\n0.023533 0.458541 0.458027 O\n0.523533 0.541459 0.041973 O\n0.065589 0.167855 0.570509 O\n0.565589 0.832145 0.929491 O\n0.934411 0.832145 0.429491 O\n0.434411 0.167855 0.070509 O\n0.405439 0.150213 0.501688 O\n0.905439 0.849787 0.998312 O\n0.594561 0.849787 0.498312 O\n0.094561 0.150213 0.001688 O\n0.102337 0.870185 0.535380 O\n0.602337 0.129815 0.964620 O\n0.897663 0.129815 0.464620 O\n0.397663 0.870185 0.035380 O\n0.464592 0.967576 0.594734 O\n0.964592 0.032424 0.905266 O\n0.535408 0.032424 0.405266 O\n0.035408 0.967576 0.094734 O\n0.386863 0.084300 0.863927 O\n0.886863 0.915700 0.636073 O\n0.613137 0.915700 0.136073 O\n0.113137 0.084300 0.363927 O\n0.992426 0.974522 0.812900 O\n0.492426 0.025478 0.687100 O\n0.007574 0.025478 0.187100 O\n0.507574 0.974522 0.312900 O\n0.419676 0.827558 0.816204 O\n0.919676 0.172442 0.683796 O\n0.580324 0.172442 0.183796 O\n0.080324 0.827558 0.316204 O\n0.134671 0.744234 0.893015 O\n0.634671 0.255766 0.606985 O\n0.865329 0.255766 0.106985 O\n0.365329 0.744234 0.393015 O\n0.336776 0.367477 0.688638 O\n0.836776 0.632523 0.811362 O\n0.663224 0.632523 0.311362 O\n0.163224 0.367477 0.188638 O\n",
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"elements": [
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"volume": 1470.9588792549532,
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"formula_full": "Bi24 Mo8 O60",
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"spacegroup": 14
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{
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"created_at": "2022-09-04T14:44:54.905568Z",
"structure_string": "Mn8 Se8 O24\n1.0\n8.435391 0.000000 0.000000\n0.000000 5.361043 0.000000\n0.000000 2.195511 13.847595\nMn Se O\n8 8 24\ndirect\n0.580475 0.083857 0.600999 Mn\n0.080475 0.916143 0.899001 Mn\n0.419525 0.916143 0.399001 Mn\n0.919525 0.083857 0.100999 Mn\n0.772566 0.472054 0.750821 Mn\n0.272566 0.527946 0.749179 Mn\n0.227434 0.527946 0.249179 Mn\n0.727434 0.472054 0.250821 Mn\n0.783232 0.635031 0.495241 Se\n0.283232 0.364969 0.004759 Se\n0.216768 0.364969 0.504759 Se\n0.716768 0.635031 0.995241 Se\n0.467278 0.016165 0.813545 Se\n0.967278 0.983835 0.686455 Se\n0.532722 0.983835 0.186455 Se\n0.032722 0.016165 0.313545 Se\n0.441060 0.832778 0.723691 O\n0.941060 0.167222 0.776309 O\n0.558940 0.167222 0.276309 O\n0.058940 0.832778 0.223691 O\n0.547672 0.275176 0.740242 O\n0.047672 0.724824 0.759758 O\n0.452328 0.724824 0.259758 O\n0.952328 0.275176 0.240242 O\n0.279592 0.142269 0.823492 O\n0.779592 0.857731 0.676508 O\n0.720408 0.857731 0.176508 O\n0.220408 0.142269 0.323492 O\n0.755640 0.386674 0.590253 O\n0.255640 0.613326 0.909747 O\n0.244360 0.613326 0.409747 O\n0.744360 0.386674 0.090253 O\n0.609867 0.814437 0.497178 O\n0.109867 0.185563 0.002822 O\n0.390133 0.185563 0.502822 O\n0.890133 0.814437 0.997178 O\n0.758871 0.488048 0.397655 O\n0.258871 0.511952 0.102345 O\n0.241129 0.511952 0.602345 O\n0.741129 0.488048 0.897655 O\n",
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"formula_full": "Mn8 Se8 O24",
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{
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"created_at": "2022-09-04T14:44:52.295826Z",
"structure_string": "Ho3 Sn1 C1\n1.0\n5.578750 0.000000 0.000000\n0.000000 5.578750 0.000000\n0.000000 0.000000 5.578750\nHo Sn C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:44:41.761399Z",
"structure_string": "Cs4 K4 Pd4 N16 O50\n1.0\n5.566777 5.580421 0.000000\n-5.566777 5.580421 0.000000\n0.000000 1.740798 22.539128\nCs K Pd N O\n4 4 4 16 50\ndirect\n0.250837 0.738121 0.975661 Cs\n0.261879 0.749163 0.524339 Cs\n0.749163 0.261879 0.024339 Cs\n0.738121 0.250837 0.475661 Cs\n0.144603 0.244556 0.252658 K\n0.755444 0.855397 0.247342 K\n0.855397 0.755444 0.747342 K\n0.244556 0.144603 0.752658 K\n0.232769 0.730840 0.166213 Pd\n0.269160 0.767231 0.333787 Pd\n0.767231 0.269160 0.833787 Pd\n0.730840 0.232769 0.666213 Pd\n0.401613 0.417772 0.130986 N\n0.582228 0.598387 0.369014 N\n0.598387 0.582228 0.869014 N\n0.417772 0.401613 0.630986 N\n0.083585 0.053138 0.122704 N\n0.946862 0.916415 0.377296 N\n0.916415 0.946862 0.877296 N\n0.053138 0.083585 0.622704 N\n0.550137 0.893534 0.119774 N\n0.106466 0.449863 0.380226 N\n0.449863 0.106466 0.880226 N\n0.893534 0.550137 0.619774 N\n0.081642 0.426274 0.866561 N\n0.573726 0.918358 0.633439 N\n0.918358 0.573726 0.133439 N\n0.426274 0.081642 0.366561 N\n0.323368 0.490553 0.177196 O\n0.509447 0.676632 0.322804 O\n0.676632 0.509447 0.822804 O\n0.490553 0.323368 0.677196 O\n0.419050 0.499799 0.082504 O\n0.500201 0.580950 0.417496 O\n0.580950 0.500201 0.917496 O\n0.499799 0.419050 0.582504 O\n0.450704 0.270281 0.141288 O\n0.729719 0.549296 0.358712 O\n0.549296 0.729719 0.858712 O\n0.270281 0.450704 0.641288 O\n0.134888 0.969547 0.171889 O\n0.030453 0.865112 0.328111 O\n0.865112 0.030453 0.828111 O\n0.969547 0.134888 0.671889 O\n0.083198 0.980187 0.075736 O\n0.019813 0.916802 0.424264 O\n0.916802 0.019813 0.924264 O\n0.980187 0.083198 0.575736 O\n0.037824 0.202482 0.129575 O\n0.797518 0.962176 0.370425 O\n0.962176 0.797518 0.870425 O\n0.202482 0.037824 0.629575 O\n0.474000 0.822179 0.168955 O\n0.177821 0.526000 0.331045 O\n0.526000 0.177821 0.831045 O\n0.822179 0.474000 0.668955 O\n0.471724 0.911717 0.073916 O\n0.088283 0.528276 0.426084 O\n0.528276 0.088283 0.926084 O\n0.911717 0.471724 0.573916 O\n0.700304 0.938380 0.124600 O\n0.061620 0.299696 0.375400 O\n0.299696 0.061620 0.875400 O\n0.938380 0.700304 0.624600 O\n0.003712 0.420253 0.915854 O\n0.579747 0.996288 0.584146 O\n0.996288 0.579747 0.084146 O\n0.420253 0.003712 0.415854 O\n0.225638 0.484763 0.855292 O\n0.515237 0.774362 0.644708 O\n0.774362 0.515237 0.144708 O\n0.484763 0.225638 0.355292 O\n0.006153 0.365076 0.820146 O\n0.634924 0.993847 0.679854 O\n0.993847 0.634924 0.179854 O\n0.365076 0.006153 0.320146 O\n0.786186 0.213814 0.250000 O\n0.213814 0.786186 0.750000 O\n",
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{
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"structure_string": "Pr2 Ni4 Sb4\n1.0\n4.475572 0.000000 0.000000\n0.000000 4.475572 0.000000\n0.000000 0.000000 10.095003\nPr Ni Sb\n2 4 4\ndirect\n0.000000 0.500000 0.239923 Pr\n0.500000 0.000000 0.760077 Pr\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.623116 Ni\n0.500000 0.000000 0.376884 Ni\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.500000 0.874017 Sb\n0.500000 0.000000 0.125983 Sb\n",
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{
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{
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