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{
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{
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{
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"structure_string": "H2 Se1\n1.0\n0.000000 2.451442 2.451442\n2.451442 0.000000 2.451442\n2.451442 2.451442 0.000000\nH Se\n2 1\ndirect\n0.250000 0.250000 0.250000 H\n0.750000 0.750000 0.750000 H\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "mp-771579",
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"structure_string": "Li7 W5 O16\n1.0\n6.053349 -0.030151 -0.008284\n-3.052592 5.277176 0.009855\n-0.014379 0.011836 9.921407\nLi W O\n7 5 16\ndirect\n0.166718 0.825739 0.212736 Li\n0.347170 0.677530 0.912757 Li\n0.008502 0.001362 0.997389 Li\n0.033165 0.019943 0.479103 Li\n0.167649 0.340187 0.211921 Li\n0.328313 0.167166 0.714999 Li\n0.661640 0.329679 0.400593 Li\n0.303768 0.644296 0.475137 W\n0.653204 0.825770 0.221797 W\n0.661609 0.327527 0.993920 W\n0.825257 0.661277 0.712058 W\n0.828573 0.174431 0.712106 W\n0.134171 0.797313 0.601473 O\n0.033636 0.519905 0.359102 O\n0.363564 0.682406 0.109078 O\n0.989904 0.993342 0.292292 O\n0.993144 0.997467 0.810927 O\n0.148315 0.325314 0.591330 O\n0.502507 0.964727 0.355161 O\n0.498039 0.530462 0.353040 O\n0.350078 0.178239 0.071845 O\n0.654394 0.818208 0.599146 O\n0.547455 0.500270 0.843574 O\n0.542014 0.053182 0.851254 O\n0.658842 0.333448 0.603415 O\n0.811390 0.647320 0.085585 O\n0.971665 0.495558 0.847340 O\n0.815314 0.168232 0.088759 O\n",
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{
"id": "mp-19208",
"created_at": "2022-09-04T14:44:12.048764Z",
"structure_string": "La4 Mn2 Co2 O12\n1.0\n5.552150 0.000000 0.000000\n0.000000 5.582891 0.000000\n0.000000 5.575773 7.880801\nLa Mn Co O\n4 2 2 12\ndirect\n0.531699 0.257646 0.249090 La\n0.968301 0.257646 0.749090 La\n0.468301 0.742354 0.750910 La\n0.031699 0.742354 0.250910 La\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.989304 0.167067 0.257765 O\n0.510696 0.167067 0.757765 O\n0.010696 0.832933 0.742235 O\n0.489304 0.832933 0.242235 O\n0.789508 0.314348 0.459781 O\n0.710492 0.314348 0.959781 O\n0.210492 0.685652 0.540219 O\n0.289508 0.685652 0.040219 O\n0.777534 0.750475 0.040278 O\n0.722466 0.750475 0.540278 O\n0.222466 0.249525 0.959722 O\n0.277534 0.249525 0.459722 O\n",
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{
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"created_at": "2022-09-04T14:44:12.053647Z",
"structure_string": "Sr1 Li1 La7 Co2 O16\n1.0\n6.892906 0.000000 0.000000\n-2.066147 7.283356 0.000000\n-2.066100 -0.627971 7.258828\nSr Li La Co O\n1 1 7 2 16\ndirect\n0.721958 0.934503 0.427187 Sr\n0.995039 0.749627 0.748048 Li\n0.725796 0.426663 0.935724 La\n0.260982 0.070738 0.558442 La\n0.723235 0.936200 0.937192 La\n0.280075 0.566091 0.567272 La\n0.734824 0.427185 0.428168 La\n0.267894 0.071561 0.069807 La\n0.271816 0.563530 0.073842 La\n0.001839 0.250977 0.751031 Co\n0.001032 0.749590 0.249978 Co\n0.001327 0.255433 0.993115 O\n0.004368 0.008593 0.751351 O\n0.321938 0.331545 0.831484 O\n0.675603 0.173661 0.673563 O\n0.004342 0.494698 0.755123 O\n0.007380 0.251352 0.510681 O\n0.363498 0.838654 0.842590 O\n0.638047 0.648777 0.671061 O\n0.377654 0.345855 0.343552 O\n0.622337 0.167999 0.141366 O\n0.005017 0.750562 0.494005 O\n0.002297 0.507514 0.245545 O\n0.315753 0.827484 0.328182 O\n0.672771 0.663485 0.163580 O\n0.002619 0.991854 0.251496 O\n0.000558 0.745875 0.006618 O\n",
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{
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{
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"structure_string": "Fe4 B2\n1.0\n-2.531907 2.531907 2.118181\n2.531907 -2.531907 2.118181\n2.531907 2.531907 -2.118181\nFe B\n4 2\ndirect\n0.666149 0.166149 0.832297 Fe\n0.333851 0.833851 0.167703 Fe\n0.833851 0.666149 0.500000 Fe\n0.166149 0.333851 0.500000 Fe\n0.750000 0.750000 0.000000 B\n0.250000 0.250000 0.000000 B\n",
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{
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"structure_string": "Sr2 Ce1 Sb1 O6\n1.0\n0.000000 -4.289813 -4.289813\n4.289813 0.000000 -4.289813\n4.289813 -4.289813 -0.000000\nSr Ce Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n0.733940 0.266060 0.266060 O\n0.266060 0.733940 0.733940 O\n0.733940 0.266060 0.733940 O\n0.266060 0.733940 0.266060 O\n0.733940 0.733940 0.266060 O\n0.266060 0.266060 0.733940 O\n",
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{
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"structure_string": "Sc8 Nb12 Ge16\n1.0\n6.780299 0.000000 0.000000\n0.000000 7.006241 0.000000\n0.000000 0.000000 13.348180\nSc Nb Ge\n8 12 16\ndirect\n0.343266 0.333441 0.624408 Sc\n0.656734 0.666559 0.375592 Sc\n0.156734 0.833441 0.375592 Sc\n0.656734 0.666559 0.124408 Sc\n0.843266 0.166559 0.624408 Sc\n0.343266 0.333441 0.875592 Sc\n0.843266 0.166559 0.875592 Sc\n0.156734 0.833441 0.124408 Sc\n0.168352 0.997222 0.750000 Nb\n0.831648 0.002778 0.250000 Nb\n0.331648 0.497222 0.250000 Nb\n0.668352 0.502778 0.750000 Nb\n0.008639 0.678088 0.591495 Nb\n0.991361 0.321912 0.408505 Nb\n0.491361 0.178088 0.408505 Nb\n0.991361 0.321912 0.091495 Nb\n0.508639 0.821912 0.591495 Nb\n0.008639 0.678088 0.908505 Nb\n0.508639 0.821912 0.908505 Nb\n0.491361 0.178088 0.091495 Nb\n0.188568 0.034495 0.541008 Ge\n0.811432 0.965505 0.458992 Ge\n0.311432 0.534495 0.458992 Ge\n0.811432 0.965505 0.041008 Ge\n0.688568 0.465505 0.541008 Ge\n0.188568 0.034495 0.958992 Ge\n0.688568 0.465505 0.958992 Ge\n0.311432 0.534495 0.041008 Ge\n0.036436 0.397521 0.750000 Ge\n0.963564 0.602479 0.250000 Ge\n0.463564 0.897521 0.250000 Ge\n0.536436 0.102479 0.750000 Ge\n0.308908 0.651614 0.750000 Ge\n0.691092 0.348386 0.250000 Ge\n0.191092 0.151614 0.250000 Ge\n0.808908 0.848386 0.750000 Ge\n",
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},
{
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"created_at": "2022-09-04T14:44:12.708512Z",
"structure_string": "Ta4 Tl8 Ag4 S16\n1.0\n10.620390 0.000000 0.000000\n0.000000 8.126818 0.000000\n0.000000 7.947373 10.293980\nTa Tl Ag S\n4 8 4 16\ndirect\n0.274308 0.923577 0.453448 Ta\n0.774308 0.076423 0.046552 Ta\n0.225692 0.923577 0.953448 Ta\n0.725692 0.076423 0.546552 Ta\n0.229082 0.396580 0.497373 Tl\n0.005269 0.660536 0.725543 Tl\n0.994731 0.339464 0.274457 Tl\n0.770918 0.603420 0.502627 Tl\n0.494731 0.660536 0.225543 Tl\n0.505269 0.339464 0.774457 Tl\n0.270918 0.396580 0.997373 Tl\n0.729082 0.603420 0.002627 Tl\n0.512137 0.088966 0.288022 Ag\n0.487863 0.911034 0.711978 Ag\n0.012137 0.911034 0.211978 Ag\n0.987863 0.088966 0.788022 Ag\n0.234667 0.880059 0.144199 S\n0.081425 0.813957 0.435058 S\n0.734667 0.119941 0.355801 S\n0.689585 0.729311 0.714570 S\n0.581425 0.186043 0.064942 S\n0.070773 0.715374 0.965897 S\n0.570773 0.284626 0.534103 S\n0.765333 0.119941 0.855801 S\n0.418575 0.813957 0.935058 S\n0.810415 0.729311 0.214570 S\n0.189585 0.270689 0.785430 S\n0.918575 0.186043 0.564942 S\n0.310415 0.270689 0.285430 S\n0.265333 0.880059 0.644199 S\n0.929227 0.284626 0.034103 S\n0.429227 0.715374 0.465897 S\n",
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"formula_full": "Ta4 Tl8 Ag4 S16",
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{
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"structure_string": "Sm14 Br6 O36\n1.0\n7.831478 -13.564518 0.000000\n7.831478 13.564518 0.000000\n0.000000 0.000000 4.252864\nSm Br O\n14 6 36\ndirect\n0.655558 0.541486 0.750000 Sm\n0.344442 0.458514 0.250000 Sm\n0.885928 0.344442 0.750000 Sm\n0.114072 0.655558 0.250000 Sm\n0.458514 0.114072 0.750000 Sm\n0.541486 0.885928 0.250000 Sm\n0.740237 0.890538 0.750000 Sm\n0.259763 0.109462 0.250000 Sm\n0.150300 0.259763 0.750000 Sm\n0.849700 0.740237 0.250000 Sm\n0.109462 0.849700 0.750000 Sm\n0.890538 0.150300 0.250000 Sm\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.936761 0.554508 0.750000 Br\n0.063239 0.445492 0.250000 Br\n0.617747 0.063239 0.750000 Br\n0.382253 0.936761 0.250000 Br\n0.445492 0.382253 0.750000 Br\n0.554508 0.617747 0.250000 Br\n0.475206 0.834878 0.750000 O\n0.524794 0.165122 0.250000 O\n0.359671 0.524794 0.750000 O\n0.640329 0.475206 0.250000 O\n0.165122 0.640329 0.750000 O\n0.834878 0.359671 0.250000 O\n0.751113 0.720222 0.750000 O\n0.248887 0.279778 0.250000 O\n0.969109 0.248887 0.750000 O\n0.030891 0.751113 0.250000 O\n0.279778 0.030891 0.750000 O\n0.720222 0.969109 0.250000 O\n0.842838 0.815607 0.750000 O\n0.157162 0.184393 0.250000 O\n0.972769 0.157162 0.750000 O\n0.027231 0.842838 0.250000 O\n0.184393 0.027231 0.750000 O\n0.815607 0.972769 0.250000 O\n0.563904 0.822580 0.750000 O\n0.436096 0.177420 0.250000 O\n0.258676 0.436096 0.750000 O\n0.741324 0.563904 0.250000 O\n0.177420 0.741324 0.750000 O\n0.822580 0.258676 0.250000 O\n0.925859 0.735879 0.750000 O\n0.074141 0.264121 0.250000 O\n0.810021 0.074141 0.750000 O\n0.189979 0.925859 0.250000 O\n0.264121 0.189979 0.750000 O\n0.735879 0.810021 0.250000 O\n0.722425 0.429247 0.750000 O\n0.277575 0.570753 0.250000 O\n0.706822 0.277575 0.750000 O\n0.293178 0.722425 0.250000 O\n0.570753 0.293178 0.750000 O\n0.429247 0.706822 0.250000 O\n",
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"density": 5.808144172096918,
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"volume": 903.5653932544105,
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"formula_full": "Sm14 Br6 O36",
"formula_reduced": "Sm7(BrO6)3",
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"updated_at": "2021-11-28T01:36:23.344000Z",
"spacegroup": 176
}
]
}