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{
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{
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{
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},
{
"id": "mp-1204272",
"created_at": "2022-09-04T14:40:17.519638Z",
"structure_string": "Y42 Ir28\n1.0\n-5.651246 5.651246 12.639462\n5.651246 -5.651246 12.639462\n5.651246 5.651246 -12.639462\nY Ir\n42 28\ndirect\n0.632191 0.503579 0.279310 Y\n0.224270 0.352882 0.720690 Y\n0.132191 0.852882 0.128612 Y\n0.724270 0.003579 0.871388 Y\n0.352882 0.632191 0.128612 Y\n0.503579 0.224270 0.871388 Y\n0.003579 0.132191 0.279310 Y\n0.852882 0.724270 0.720690 Y\n0.367809 0.496421 0.720690 Y\n0.775730 0.647118 0.279310 Y\n0.867809 0.147118 0.871388 Y\n0.275730 0.996421 0.128612 Y\n0.647118 0.367809 0.871388 Y\n0.496421 0.775730 0.128612 Y\n0.996421 0.867809 0.720690 Y\n0.147118 0.275730 0.279310 Y\n0.385745 0.517057 0.290639 Y\n0.226418 0.095105 0.709361 Y\n0.885745 0.595105 0.868688 Y\n0.726418 0.017057 0.131312 Y\n0.095105 0.385745 0.868688 Y\n0.517057 0.226418 0.131312 Y\n0.017057 0.885745 0.290639 Y\n0.595105 0.726418 0.709361 Y\n0.614255 0.482943 0.709361 Y\n0.773582 0.904895 0.290639 Y\n0.114255 0.404895 0.131312 Y\n0.273582 0.982943 0.868688 Y\n0.904895 0.614255 0.131312 Y\n0.482943 0.773582 0.868688 Y\n0.982943 0.114255 0.709361 Y\n0.404895 0.273582 0.290639 Y\n0.850741 0.350741 0.201481 Y\n0.149259 0.649259 0.798519 Y\n0.350741 0.149259 0.500000 Y\n0.649259 0.850741 0.500000 Y\n0.387473 0.887473 0.500000 Y\n0.887473 0.387473 0.500000 Y\n0.612527 0.112527 0.500000 Y\n0.112527 0.612527 0.500000 Y\n0.250000 0.750000 0.500000 Y\n0.750000 0.250000 0.500000 Y\n0.714342 0.214342 0.141179 Ir\n0.073162 0.573162 0.858821 Ir\n0.214342 0.073162 0.500000 Ir\n0.573162 0.714342 0.500000 Ir\n0.285658 0.785658 0.858821 Ir\n0.926838 0.426838 0.141179 Ir\n0.785658 0.926838 0.500000 Ir\n0.426838 0.285658 0.500000 Ir\n0.465362 0.965362 0.808098 Ir\n0.157264 0.657264 0.191902 Ir\n0.965362 0.157264 0.500000 Ir\n0.657264 0.465362 0.500000 Ir\n0.534638 0.034638 0.191902 Ir\n0.842736 0.342736 0.808098 Ir\n0.034638 0.842736 0.500000 Ir\n0.342736 0.534638 0.500000 Ir\n0.596541 0.096541 0.693083 Ir\n0.403459 0.903459 0.306917 Ir\n0.096541 0.403459 0.500000 Ir\n0.903459 0.596541 0.500000 Ir\n0.365629 0.365629 0.000000 Ir\n0.865629 0.865629 0.000000 Ir\n0.634371 0.634371 0.000000 Ir\n0.134371 0.134371 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n0.750000 0.750000 0.000000 Ir\n",
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"elements": [
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"density": 9.375235951684328,
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"volume": 1614.6448256601384,
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"spacegroup": 140
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{
"id": "mp-1196681",
"created_at": "2022-09-04T14:40:07.272618Z",
"structure_string": "Ba6 Fe25 S27\n1.0\n9.820089 0.000000 0.000000\n0.000000 9.820089 0.000000\n0.000000 0.000000 9.820089\nBa Fe S\n6 25 27\ndirect\n0.193891 0.500000 0.500000 Ba\n0.500000 0.500000 0.806109 Ba\n0.500000 0.193891 0.500000 Ba\n0.500000 0.500000 0.193891 Ba\n0.500000 0.806109 0.500000 Ba\n0.806109 0.500000 0.500000 Ba\n0.132998 0.361651 0.867002 Fe\n0.361651 0.132998 0.867002 Fe\n0.132998 0.132998 0.638349 Fe\n0.132998 0.638349 0.132998 Fe\n0.361651 0.867002 0.132998 Fe\n0.132998 0.867002 0.361651 Fe\n0.867002 0.361651 0.132998 Fe\n0.638349 0.132998 0.132998 Fe\n0.867002 0.132998 0.361651 Fe\n0.867002 0.638349 0.867002 Fe\n0.638349 0.867002 0.867002 Fe\n0.867002 0.867002 0.638349 Fe\n0.867002 0.638349 0.132998 Fe\n0.638349 0.867002 0.132998 Fe\n0.867002 0.867002 0.361651 Fe\n0.867002 0.361651 0.867002 Fe\n0.638349 0.132998 0.867002 Fe\n0.867002 0.132998 0.638349 Fe\n0.132998 0.638349 0.867002 Fe\n0.361651 0.867002 0.867002 Fe\n0.132998 0.867002 0.638349 Fe\n0.132998 0.361651 0.132998 Fe\n0.361651 0.132998 0.132998 Fe\n0.132998 0.132998 0.361651 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 S\n0.000000 0.237450 0.000000 S\n0.237450 0.000000 0.000000 S\n0.000000 0.000000 0.762550 S\n0.000000 0.762550 0.000000 S\n0.000000 0.000000 0.237450 S\n0.762550 0.000000 0.000000 S\n0.274854 0.274854 0.725146 S\n0.274854 0.725146 0.274854 S\n0.725146 0.274854 0.274854 S\n0.725146 0.725146 0.725146 S\n0.725146 0.725146 0.274854 S\n0.725146 0.274854 0.725146 S\n0.274854 0.725146 0.725146 S\n0.274854 0.274854 0.274854 S\n0.244895 0.500000 0.000000 S\n0.500000 0.000000 0.755105 S\n0.000000 0.244895 0.500000 S\n0.244895 0.000000 0.500000 S\n0.500000 0.244895 0.000000 S\n0.000000 0.500000 0.755105 S\n0.500000 0.000000 0.244895 S\n0.000000 0.755105 0.500000 S\n0.500000 0.755105 0.000000 S\n0.000000 0.500000 0.244895 S\n0.755105 0.500000 0.000000 S\n0.755105 0.000000 0.500000 S\n",
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{
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{
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{
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"structure_string": "Sm20 Pb16\n1.0\n8.377978 0.000000 0.000000\n0.000000 8.486563 0.000000\n0.000000 0.000000 16.060571\nSm Pb\n20 16\ndirect\n0.622390 0.159795 0.619103 Sm\n0.122390 0.340205 0.880897 Sm\n0.377610 0.840205 0.119103 Sm\n0.877610 0.659795 0.380897 Sm\n0.377610 0.840205 0.380897 Sm\n0.877610 0.659795 0.119103 Sm\n0.622390 0.159795 0.880897 Sm\n0.122390 0.340205 0.619103 Sm\n0.468538 0.678509 0.600956 Sm\n0.968538 0.821491 0.899044 Sm\n0.531462 0.321491 0.100956 Sm\n0.031462 0.178509 0.399044 Sm\n0.531462 0.321491 0.399044 Sm\n0.031462 0.178509 0.100956 Sm\n0.468538 0.678509 0.899044 Sm\n0.968538 0.821491 0.600956 Sm\n0.791708 0.496893 0.750000 Sm\n0.291708 0.003107 0.750000 Sm\n0.208292 0.503107 0.250000 Sm\n0.708292 0.996893 0.250000 Sm\n0.719430 0.968061 0.457018 Pb\n0.219430 0.531939 0.042982 Pb\n0.280570 0.031939 0.957018 Pb\n0.780570 0.468061 0.542982 Pb\n0.280570 0.031939 0.542982 Pb\n0.780570 0.468061 0.957018 Pb\n0.719430 0.968061 0.042982 Pb\n0.219430 0.531939 0.457018 Pb\n0.426750 0.373515 0.750000 Pb\n0.926750 0.126485 0.750000 Pb\n0.573250 0.626485 0.250000 Pb\n0.073250 0.873515 0.250000 Pb\n0.659494 0.851647 0.750000 Pb\n0.159494 0.648353 0.750000 Pb\n0.340506 0.148353 0.250000 Pb\n0.840506 0.351647 0.250000 Pb\n",
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{
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"structure_string": "Co4 Se4 O16\n1.0\n4.988193 0.000154 0.000027\n0.000187 6.872519 0.001096\n-0.000199 0.000370 9.118379\nCo Se O\n4 4 16\ndirect\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.970255 0.749986 0.320570 Se\n0.470276 0.249978 0.179424 Se\n0.529724 0.750022 0.820576 Se\n0.029744 0.250014 0.679430 Se\n0.790163 0.250001 0.118624 O\n0.709858 0.250056 0.618621 O\n0.290142 0.749944 0.381379 O\n0.209837 0.749999 0.881375 O\n0.561401 0.750041 0.633762 O\n0.438599 0.249959 0.366238 O\n0.938587 0.750022 0.133755 O\n0.061413 0.249978 0.866245 O\n0.822785 0.955219 0.375868 O\n0.177291 0.455248 0.624152 O\n0.177214 0.044781 0.624131 O\n0.677205 0.955250 0.875860 O\n0.822709 0.544752 0.375848 O\n0.677255 0.544775 0.875874 O\n0.322745 0.455226 0.124126 O\n0.322795 0.044750 0.124140 O\n",
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