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{
"id": "mp-560121",
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"nsites": 80,
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"elements": [
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"C",
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"formula_full": "H40 C8 N8 O24",
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"updated_at": "2021-11-28T01:36:58.476000Z",
"spacegroup": 56
},
{
"id": "mp-1097482",
"created_at": "2022-09-04T14:45:15.874784Z",
"structure_string": "Sr1 La1 Cd2\n1.0\n-6.168746 6.727136 8.667369\n6.168746 -6.727136 8.667369\n6.168746 6.727136 -8.667369\nSr La Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.261958 0.000000 0.261958 Cd\n0.738042 0.000000 0.738042 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.520937637335377,
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"volume": 1438.7136824662948,
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"formula_full": "Sr1 La1 Cd2",
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{
"id": "mp-1183216",
"created_at": "2022-09-04T14:45:15.875648Z",
"structure_string": "Al2 Cu6\n1.0\n2.603645 -4.509645 0.000000\n2.603645 4.509645 0.000000\n0.000000 0.000000 4.235207\nAl Cu\n2 6\ndirect\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.165834 0.331668 0.250000 Cu\n0.668332 0.834166 0.250000 Cu\n0.165834 0.834166 0.250000 Cu\n0.834166 0.668332 0.750000 Cu\n0.331668 0.165834 0.750000 Cu\n0.834166 0.165834 0.750000 Cu\n",
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"spacegroup": 194
},
{
"id": "mp-1214018",
"created_at": "2022-09-04T14:45:15.878218Z",
"structure_string": "Cd2 C4 S4 N8 Cl4\n1.0\n0.000000 -5.568566 0.000000\n-15.656039 0.000000 0.000000\n0.000000 0.000000 -5.830840\nCd C S N Cl\n2 4 4 8 4\ndirect\n0.578202 0.000000 0.044236 Cd\n0.421798 0.500000 0.544236 Cd\n0.728003 0.716237 0.930382 C\n0.271997 0.783763 0.430382 C\n0.271997 0.216237 0.430382 C\n0.728003 0.283763 0.930382 C\n0.784395 0.874362 0.816009 S\n0.215605 0.625638 0.316009 S\n0.215605 0.374362 0.316009 S\n0.784395 0.125638 0.816009 S\n0.761026 0.641663 0.929636 N\n0.238974 0.858337 0.429636 N\n0.238974 0.141663 0.429636 N\n0.761026 0.358337 0.929636 N\n0.670713 0.797149 0.958351 N\n0.329287 0.702851 0.458351 N\n0.329287 0.297149 0.458351 N\n0.670713 0.202851 0.958351 N\n0.139735 0.000000 0.928754 Cl\n0.860265 0.500000 0.428754 Cl\n0.697174 0.000000 0.449353 Cl\n0.302826 0.500000 0.949353 Cl\n",
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"elements": [
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],
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"formula_full": "Cd2 C4 S4 N8 Cl4",
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},
{
"id": "mp-1195096",
"created_at": "2022-09-04T14:45:15.892988Z",
"structure_string": "Mg4 Sb12 Xe4 F92\n1.0\n10.824926 0.000000 0.000000\n0.000000 11.045873 0.000000\n0.000000 10.987756 15.653379\nMg Sb Xe F\n4 12 4 92\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.708644 0.215127 0.493356 Sb\n0.791356 0.215127 0.993356 Sb\n0.291356 0.784873 0.506644 Sb\n0.208644 0.784873 0.006644 Sb\n0.794136 0.693243 0.512598 Sb\n0.705864 0.693243 0.012598 Sb\n0.205864 0.306757 0.487402 Sb\n0.294136 0.306757 0.987402 Sb\n0.994044 0.227250 0.247105 Sb\n0.505956 0.227250 0.747105 Sb\n0.005956 0.772750 0.752895 Sb\n0.494044 0.772750 0.252895 Sb\n0.947189 0.798048 0.246429 Xe\n0.552811 0.798048 0.746429 Xe\n0.052811 0.201952 0.753571 Xe\n0.447189 0.201952 0.253571 Xe\n0.063062 0.665343 0.243409 F\n0.436938 0.665343 0.743409 F\n0.936938 0.334657 0.756591 F\n0.563062 0.334657 0.256591 F\n0.053928 0.754759 0.340745 F\n0.446072 0.754759 0.840745 F\n0.946072 0.245241 0.659255 F\n0.553928 0.245241 0.159255 F\n0.874384 0.803068 0.151027 F\n0.625616 0.803068 0.651027 F\n0.125616 0.196932 0.848973 F\n0.374384 0.196932 0.348973 F\n0.069190 0.945753 0.167838 F\n0.430810 0.945753 0.667838 F\n0.930810 0.054247 0.832162 F\n0.569190 0.054247 0.332162 F\n0.860469 0.610737 0.324320 F\n0.639531 0.610737 0.824320 F\n0.139531 0.389263 0.675680 F\n0.360469 0.389263 0.175680 F\n0.588271 0.365630 0.474941 F\n0.911729 0.365630 0.974941 F\n0.411729 0.634370 0.525059 F\n0.088271 0.634370 0.025059 F\n0.661175 0.090034 0.611884 F\n0.838825 0.090034 0.111884 F\n0.338825 0.909966 0.388116 F\n0.161175 0.909966 0.888116 F\n0.587496 0.123787 0.467785 F\n0.912504 0.123787 0.967785 F\n0.412504 0.876213 0.532215 F\n0.087496 0.876213 0.032215 F\n0.832873 0.065173 0.515375 F\n0.667127 0.065173 0.015375 F\n0.167127 0.934827 0.484625 F\n0.332873 0.934827 0.984625 F\n0.758763 0.334680 0.377230 F\n0.741237 0.334680 0.877230 F\n0.241237 0.665320 0.622770 F\n0.258763 0.665320 0.122770 F\n0.828006 0.304858 0.522084 F\n0.671994 0.304858 0.022084 F\n0.171994 0.695142 0.477916 F\n0.328006 0.695142 0.977916 F\n0.665116 0.556646 0.523143 F\n0.834884 0.556646 0.023143 F\n0.334884 0.443354 0.476857 F\n0.165116 0.443354 0.976857 F\n0.919044 0.554995 0.538196 F\n0.580956 0.554995 0.038196 F\n0.080956 0.445005 0.461804 F\n0.419044 0.445005 0.961804 F\n0.810539 0.773024 0.393389 F\n0.689461 0.773024 0.893389 F\n0.189461 0.226976 0.606611 F\n0.310539 0.226976 0.106611 F\n0.918817 0.836114 0.499402 F\n0.581183 0.836114 0.999402 F\n0.081183 0.163886 0.500598 F\n0.418817 0.163886 0.000598 F\n0.669229 0.835022 0.483250 F\n0.830771 0.835022 0.983250 F\n0.330771 0.164978 0.516750 F\n0.169229 0.164978 0.016750 F\n0.778172 0.616311 0.629886 F\n0.721828 0.616311 0.129886 F\n0.221828 0.383689 0.370114 F\n0.278172 0.383689 0.870114 F\n0.979404 0.132490 0.370553 F\n0.520596 0.132490 0.870553 F\n0.020596 0.867510 0.629447 F\n0.479404 0.867510 0.129447 F\n0.964133 0.039153 0.265533 F\n0.535867 0.039153 0.765533 F\n0.035867 0.960847 0.734467 F\n0.464133 0.960847 0.234467 F\n0.165915 0.177906 0.262973 F\n0.334085 0.177906 0.762973 F\n0.834085 0.822094 0.737027 F\n0.665915 0.822094 0.237027 F\n0.014047 0.321736 0.123775 F\n0.485953 0.321736 0.623775 F\n0.985953 0.678264 0.876225 F\n0.514047 0.678264 0.376225 F\n0.027074 0.411176 0.228705 F\n0.472926 0.411176 0.728705 F\n0.972926 0.588824 0.771295 F\n0.527074 0.588824 0.271295 F\n0.822064 0.263268 0.232008 F\n0.677936 0.263268 0.732008 F\n0.177936 0.736732 0.767992 F\n0.322064 0.736732 0.267992 F\n",
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"formula_full": "Mg4 Sb12 Xe4 F92",
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{
"id": "mp-1214819",
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"structure_string": "Al1 C6\n1.0\n5.351627 0.000000 0.000000\n0.000000 5.351627 0.000000\n0.000000 0.000000 5.351627\nAl C\n1 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.380466 0.000000 0.000000 C\n0.619534 0.000000 0.000000 C\n0.000000 0.380466 0.000000 C\n0.000000 0.619534 0.000000 C\n0.000000 0.000000 0.380466 C\n0.000000 0.000000 0.619534 C\n",
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{
"id": "mp-1218650",
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"structure_string": "Sr6 Fe4 Mo2 O18\n1.0\n4.004521 8.917173 0.000000\n-4.004521 8.917173 0.000000\n0.000000 1.774495 5.343230\nSr Fe Mo O\n6 4 2 18\ndirect\n0.917541 0.399196 0.843572 Sr\n0.233117 0.766883 0.500000 Sr\n0.600804 0.082459 0.156428 Sr\n0.766883 0.233117 0.500000 Sr\n0.082459 0.600804 0.156428 Sr\n0.399196 0.917541 0.843572 Sr\n0.500000 0.500000 0.000000 Fe\n0.835104 0.835104 0.664311 Fe\n0.164896 0.164896 0.335689 Fe\n0.000000 0.000000 0.000000 Fe\n0.332230 0.332230 0.666093 Mo\n0.667770 0.667770 0.333907 Mo\n0.426083 0.911792 0.330577 O\n0.744303 0.255697 0.000000 O\n0.088208 0.573917 0.669423 O\n0.911792 0.426083 0.330577 O\n0.255697 0.744303 0.000000 O\n0.573917 0.088208 0.669423 O\n0.079047 0.079047 0.190970 O\n0.406337 0.406337 0.857232 O\n0.738845 0.738845 0.532571 O\n0.593663 0.593663 0.142768 O\n0.920953 0.920953 0.809030 O\n0.261155 0.261155 0.467429 O\n0.578528 0.578528 0.639873 O\n0.907131 0.907131 0.323243 O\n0.245104 0.245104 0.976865 O\n0.092869 0.092869 0.676757 O\n0.421472 0.421472 0.360127 O\n0.754896 0.754896 0.023135 O\n",
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{
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}