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{
"id": "mp-2531",
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{
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{
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"structure_string": "Al4 Si4 H44 C12 O4\n1.0\n0.000000 8.345167 0.000000\n2.092277 0.000000 -10.096364\n-10.145511 -4.172584 0.000000\nAl Si H C O\n4 4 44 12 4\ndirect\n0.391809 0.888489 0.993125 Al\n0.398684 0.611511 0.006875 Al\n0.608191 0.111511 0.006875 Al\n0.601316 0.388489 0.993125 Al\n0.453621 0.135552 0.241889 Si\n0.211732 0.364448 0.758111 Si\n0.546379 0.864448 0.758111 Si\n0.788268 0.635552 0.241889 Si\n0.192282 0.993649 0.209750 H\n0.982532 0.506351 0.790250 H\n0.807718 0.006351 0.790250 H\n0.017468 0.493649 0.209750 H\n0.386792 0.924519 0.301113 H\n0.085680 0.575481 0.698887 H\n0.613208 0.075481 0.698887 H\n0.914320 0.424519 0.301113 H\n0.315358 0.065844 0.381414 H\n0.933944 0.434156 0.618586 H\n0.684642 0.934156 0.618586 H\n0.066056 0.565844 0.381414 H\n0.402758 0.361648 0.192786 H\n0.209972 0.138352 0.807214 H\n0.597242 0.638352 0.807214 H\n0.790028 0.861648 0.192786 H\n0.203112 0.262079 0.135378 H\n0.067735 0.237921 0.864622 H\n0.796888 0.737921 0.864622 H\n0.932265 0.762079 0.135378 H\n0.314935 0.329503 0.309822 H\n0.005114 0.170497 0.690178 H\n0.685065 0.670497 0.690178 H\n0.994886 0.829503 0.309822 H\n0.751781 0.248401 0.358404 H\n0.393377 0.251599 0.641596 H\n0.248219 0.751599 0.641596 H\n0.606623 0.748401 0.358404 H\n0.658246 0.222226 0.474541 H\n0.183706 0.277774 0.525459 H\n0.341754 0.777774 0.525459 H\n0.816294 0.722226 0.474541 H\n0.744905 0.088722 0.396537 H\n0.348367 0.411278 0.603463 H\n0.255095 0.911278 0.603463 H\n0.651633 0.588722 0.396537 H\n0.186377 0.895352 0.929436 H\n0.256940 0.604648 0.070564 H\n0.813623 0.104648 0.070564 H\n0.743060 0.395352 0.929436 H\n0.475038 0.801138 0.113172 H\n0.361866 0.698862 0.886828 H\n0.524962 0.198862 0.886828 H\n0.638134 0.301138 0.113172 H\n0.324783 0.017379 0.285952 C\n0.038831 0.482621 0.714048 C\n0.675217 0.982621 0.714048 C\n0.961169 0.517379 0.285952 C\n0.332304 0.286377 0.216045 C\n0.116259 0.213623 0.783955 C\n0.667696 0.713623 0.783955 C\n0.883741 0.786377 0.216045 C\n0.673303 0.177617 0.380312 C\n0.292991 0.322383 0.619688 C\n0.326697 0.822383 0.619688 C\n0.707009 0.677617 0.380312 C\n0.479763 0.063738 0.098791 O\n0.380972 0.436262 0.901209 O\n0.520237 0.936262 0.901209 O\n0.619028 0.563738 0.098791 O\n",
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"formula_full": "Al4 Si4 H44 C12 O4",
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{
"id": "mp-1224214",
"created_at": "2022-09-04T14:39:08.892987Z",
"structure_string": "K4 Pb2 Br8 O1\n1.0\n-0.004329 0.018806 4.430648\n8.277171 -0.016408 -0.005562\n-0.068565 14.418463 0.032429\nK Pb Br O\n4 2 8 1\ndirect\n0.465599 0.085735 0.330817 K\n0.519975 0.412888 0.826525 K\n0.534401 0.914265 0.669183 K\n0.480025 0.587112 0.173475 K\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.984417 0.385786 0.301808 Br\n0.020801 0.118801 0.801709 Br\n0.015583 0.614214 0.698192 Br\n0.979199 0.881199 0.198291 Br\n0.496054 0.748140 0.456832 Br\n0.505612 0.748846 0.959243 Br\n0.503946 0.251860 0.543168 Br\n0.494388 0.251154 0.040757 Br\n0.000000 0.000000 0.500000 O\n",
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{
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"structure_string": "Ce2 N16 O36\n1.0\n6.872000 0.000000 0.000000\n0.000000 8.363612 0.000000\n0.000000 8.098694 13.244558\nCe N O\n2 16 36\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.231561 0.370038 0.659942 N\n0.268439 0.370038 0.159942 N\n0.768439 0.629962 0.340058 N\n0.731561 0.629962 0.840058 N\n0.262082 0.778204 0.181232 N\n0.237918 0.778204 0.681232 N\n0.737918 0.221796 0.818768 N\n0.762082 0.221796 0.318768 N\n0.275757 0.894912 0.885646 N\n0.224243 0.894912 0.385646 N\n0.724243 0.105088 0.114354 N\n0.775757 0.105088 0.614354 N\n0.250726 0.338930 0.946050 N\n0.249274 0.338930 0.446050 N\n0.749274 0.661070 0.053950 N\n0.750726 0.661070 0.553950 N\n0.281286 0.955133 0.119760 O\n0.218714 0.955133 0.619760 O\n0.718714 0.044867 0.880240 O\n0.781286 0.044867 0.380240 O\n0.111200 0.704302 0.167616 O\n0.388800 0.704302 0.667616 O\n0.888800 0.295698 0.832384 O\n0.611200 0.295698 0.332384 O\n0.381004 0.685570 0.248137 O\n0.118996 0.685570 0.748137 O\n0.618996 0.314430 0.751863 O\n0.881004 0.314430 0.251863 O\n0.295372 0.829474 0.980281 O\n0.204628 0.829474 0.480281 O\n0.704628 0.170526 0.019719 O\n0.795372 0.170526 0.519719 O\n0.127503 0.000707 0.844138 O\n0.372497 0.000707 0.344138 O\n0.872497 0.999293 0.155862 O\n0.627503 0.999293 0.655862 O\n0.391392 0.860044 0.837464 O\n0.108608 0.860044 0.337464 O\n0.608608 0.139956 0.162536 O\n0.891392 0.139956 0.662536 O\n0.282481 0.237293 0.908756 O\n0.217519 0.237293 0.408756 O\n0.717519 0.762707 0.091244 O\n0.782481 0.762707 0.591244 O\n0.094554 0.306929 0.996760 O\n0.405446 0.306929 0.496760 O\n0.905446 0.693071 0.003240 O\n0.594554 0.693071 0.503240 O\n0.365599 0.462205 0.934832 O\n0.134401 0.462205 0.434832 O\n0.634401 0.537795 0.065168 O\n0.865599 0.537795 0.565168 O\n",
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{
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{
"id": "mp-1103966",
"created_at": "2022-09-04T14:39:08.906691Z",
"structure_string": "Cd1 Mo6 Se8\n1.0\n4.766001 -4.893354 0.000000\n4.766001 4.893354 0.000000\n-0.258108 0.000000 6.825911\nCd Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Cd\n0.553591 0.418619 0.234117 Mo\n0.418619 0.234117 0.553591 Mo\n0.234117 0.553591 0.418619 Mo\n0.446409 0.581381 0.765883 Mo\n0.581381 0.765883 0.446409 Mo\n0.765883 0.446409 0.581381 Mo\n0.229061 0.229061 0.229061 Se\n0.770939 0.770939 0.770939 Se\n0.125488 0.376100 0.740023 Se\n0.376100 0.740023 0.125488 Se\n0.740023 0.125488 0.376100 Se\n0.874512 0.623900 0.259977 Se\n0.623900 0.259977 0.874512 Se\n0.259977 0.874512 0.623900 Se\n",
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"formula_full": "Cd1 Mo6 Se8",
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{
"id": "mp-1180139",
"created_at": "2022-09-04T14:39:08.908380Z",
"structure_string": "Mn2 C8 Br6 N2\n1.0\n6.239205 0.000000 0.000000\n0.000000 8.406568 0.000000\n0.000000 3.597083 7.912470\nMn C Br N\n2 8 6 2\ndirect\n0.003195 0.000257 0.999886 Mn\n0.503195 0.999743 0.000114 Mn\n0.758900 0.185713 0.395197 C\n0.784896 0.449662 0.168025 C\n0.769265 0.338204 0.461492 C\n0.258900 0.814287 0.604803 C\n0.284896 0.550338 0.831975 C\n0.269265 0.661796 0.538508 C\n0.902865 0.345648 0.316391 C\n0.402865 0.654352 0.683609 C\n0.253787 0.164473 0.752754 Br\n0.253332 0.099067 0.170649 Br\n0.253673 0.734547 0.069051 Br\n0.753787 0.835527 0.247246 Br\n0.753332 0.900933 0.829351 Br\n0.753673 0.265453 0.930949 Br\n0.635888 0.359408 0.301562 N\n0.135888 0.640592 0.698438 N\n",
"nsites": 18,
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"elements": [
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