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{
"id": "mp-505551",
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{
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"volume": 563.885334481434,
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"formula_full": "Dy5 Mg5 Al12 Fe4 Si6",
"formula_reduced": "Dy5Mg5Al12(Fe2Si3)2",
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"spacegroup": 123
},
{
"id": "mp-554200",
"created_at": "2022-09-04T14:42:25.739424Z",
"structure_string": "Sr4 Y2 Cu6 Pb4 O16\n1.0\n5.368171 0.000000 0.000000\n-0.012792 5.412476 0.000000\n-0.132079 -0.080327 15.676817\nSr Y Cu Pb O\n4 2 6 4 16\ndirect\n0.997684 0.996997 0.778812 Sr\n0.002316 0.003003 0.221188 Sr\n0.502133 0.501245 0.220818 Sr\n0.497867 0.498755 0.779182 Sr\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.000438 0.500829 0.104033 Cu\n0.500371 0.000119 0.103599 Cu\n0.500000 0.500000 0.500000 Cu\n0.999562 0.499171 0.895967 Cu\n0.499629 0.999881 0.896401 Cu\n0.000000 0.000000 0.500000 Cu\n0.505040 0.987953 0.610491 Pb\n0.004820 0.496991 0.610751 Pb\n0.995180 0.503009 0.389249 Pb\n0.494960 0.012047 0.389509 Pb\n0.004652 0.510244 0.249798 O\n0.250703 0.250688 0.093049 O\n0.249511 0.249249 0.907859 O\n0.750489 0.750751 0.092141 O\n0.501768 0.993603 0.250361 O\n0.995348 0.489756 0.750202 O\n0.749297 0.749312 0.906951 O\n0.453114 0.554346 0.615833 O\n0.498232 0.006397 0.749639 O\n0.249790 0.749886 0.907169 O\n0.750210 0.250114 0.092831 O\n0.968667 0.928638 0.615241 O\n0.546886 0.445654 0.384167 O\n0.031333 0.071362 0.384759 O\n0.749706 0.249855 0.908627 O\n0.250294 0.750145 0.091373 O\n",
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"elements": [
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"volume": 455.49143390508874,
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"formula_full": "Sr4 Y2 Cu6 Pb4 O16",
"formula_reduced": "Sr2YCu3(PbO4)2",
"formula_anonymous": "AB2C2D3E8",
"energy": -204.1277985,
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{
"id": "mp-1074213",
"created_at": "2022-09-04T14:42:25.743321Z",
"structure_string": "Mg8 Si14\n1.0\n4.374994 0.000000 0.000000\n0.045637 6.676069 0.000000\n0.065467 1.115319 13.210222\nMg Si\n8 14\ndirect\n0.728710 0.060644 0.911958 Mg\n0.726874 0.423750 0.498408 Mg\n0.227411 0.047978 0.232418 Mg\n0.226378 0.582991 0.657642 Mg\n0.726617 0.520542 0.839041 Mg\n0.226386 0.545318 0.168052 Mg\n0.226935 0.732405 0.420792 Mg\n0.227497 0.091634 0.581353 Mg\n0.729485 0.283398 0.096108 Si\n0.715294 0.655485 0.016878 Si\n0.225730 0.848506 0.820742 Si\n0.231753 0.893353 0.024913 Si\n0.725034 0.799458 0.551675 Si\n0.727976 0.073080 0.406887 Si\n0.731715 0.913906 0.129166 Si\n0.226124 0.226104 0.794191 Si\n0.726029 0.263568 0.692902 Si\n0.727929 0.356250 0.273580 Si\n0.227451 0.285477 0.387809 Si\n0.228776 0.277621 0.981785 Si\n0.727611 0.896203 0.723078 Si\n0.728573 0.725979 0.294223 Si\n",
"nsites": 22,
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"elements": [
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"density": 2.5290058614772803,
"density_atomic": 0.05701830284525603,
"volume": 385.8410177466448,
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"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
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"spacegroup": 1
},
{
"id": "mp-1235662",
"created_at": "2022-09-04T14:42:25.796276Z",
"structure_string": "Li1 Y2 Fe4 O8\n1.0\n5.677144 -0.297785 3.373560\n1.781117 5.034682 3.000910\n0.219050 -0.304569 6.598216\nLi Y Fe O\n1 2 4 8\ndirect\n0.859108 0.412731 0.862942 Li\n0.597592 0.651961 0.596727 Y\n0.376598 0.356781 0.378789 Y\n0.040358 0.482628 0.039510 Fe\n0.029846 0.961956 0.030092 Fe\n0.512323 0.994895 0.990064 Fe\n0.989253 0.995472 0.512381 Fe\n0.194562 0.781776 0.767143 O\n0.218049 0.241263 0.789937 O\n0.229082 0.763784 0.228911 O\n0.244985 0.209702 0.246087 O\n0.767987 0.781351 0.193870 O\n0.787861 0.240846 0.220381 O\n0.754967 0.255945 0.756472 O\n0.741178 0.775157 0.740861 O\n",
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],
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"formula_full": "Li1 Y2 Fe4 O8",
"formula_reduced": "LiY2(FeO2)4",
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{
"id": "mp-1206574",
"created_at": "2022-09-04T14:42:25.806068Z",
"structure_string": "Sm2 Ti1 Ge2\n1.0\n3.009014 0.000000 0.000000\n0.000000 3.009014 0.000000\n0.000000 0.000000 14.510657\nSm Ti Ge\n2 1 2\ndirect\n0.500000 0.500000 0.623697 Sm\n0.500000 0.500000 0.376303 Sm\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.173266 Ge\n0.500000 0.500000 0.826734 Ge\n",
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],
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"formula_full": "Sm2 Ti1 Ge2",
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"spacegroup": 123
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{
"id": "mp-1209794",
"created_at": "2022-09-04T14:42:25.829398Z",
"structure_string": "Rb4 Be4 Co2 O12 F16\n1.0\n-6.018335 0.000000 1.486379\n0.079225 0.000000 -8.153646\n0.000000 -11.647075 0.000000\nRb Be Co O F\n4 4 2 12 16\ndirect\n0.849810 0.616773 0.148097 Rb\n0.150190 0.383227 0.851903 Rb\n0.150190 0.883227 0.648097 Rb\n0.849810 0.116773 0.351903 Rb\n0.742014 0.602815 0.847453 Be\n0.257986 0.397185 0.152547 Be\n0.257986 0.897185 0.347453 Be\n0.742014 0.102815 0.652547 Be\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.767502 0.991284 0.936664 O\n0.232498 0.008716 0.063336 O\n0.232498 0.508716 0.436664 O\n0.767502 0.491284 0.563336 O\n0.457563 0.647847 0.606263 O\n0.542437 0.352153 0.393737 O\n0.542437 0.852153 0.106263 O\n0.457563 0.147847 0.893737 O\n0.346801 0.852767 0.900142 O\n0.653199 0.147233 0.099858 O\n0.653199 0.647233 0.400142 O\n0.346801 0.352767 0.599858 O\n0.897392 0.585317 0.745546 F\n0.102608 0.414683 0.254454 F\n0.102608 0.914683 0.245546 F\n0.897392 0.085317 0.754454 F\n0.870612 0.759137 0.925505 F\n0.129388 0.240863 0.074495 F\n0.129388 0.740863 0.425505 F\n0.870612 0.259137 0.574495 F\n0.706210 0.946563 0.572891 F\n0.293790 0.053437 0.427109 F\n0.293790 0.553437 0.072891 F\n0.706210 0.446563 0.927109 F\n0.523570 0.640435 0.801146 F\n0.476430 0.359565 0.198854 F\n0.476430 0.859565 0.301146 F\n0.523570 0.140435 0.698854 F\n",
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"formula_full": "Rb4 Be4 Co2 O12 F16",
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{
"id": "mp-1208211",
"created_at": "2022-09-04T14:42:25.734859Z",
"structure_string": "Tm6 Co30 Si18\n1.0\n0.000000 0.000000 -3.664074\n-7.356817 -12.742381 0.000000\n-7.356817 12.742381 0.000000\nTm Co Si\n6 30 18\ndirect\n0.750000 0.706612 0.100688 Tm\n0.250000 0.293388 0.899312 Tm\n0.750000 0.394075 0.293388 Tm\n0.250000 0.605925 0.706612 Tm\n0.750000 0.899312 0.605925 Tm\n0.250000 0.100688 0.394075 Tm\n0.750000 0.586672 0.852017 Co\n0.250000 0.413328 0.147983 Co\n0.750000 0.265345 0.413328 Co\n0.250000 0.734655 0.586672 Co\n0.750000 0.147983 0.734655 Co\n0.250000 0.852017 0.265345 Co\n0.750000 0.459585 0.534020 Co\n0.250000 0.540415 0.465980 Co\n0.750000 0.074435 0.540415 Co\n0.250000 0.925565 0.459585 Co\n0.750000 0.465980 0.925565 Co\n0.250000 0.534020 0.074435 Co\n0.750000 0.899003 0.028941 Co\n0.250000 0.100997 0.971059 Co\n0.750000 0.129938 0.100997 Co\n0.250000 0.870062 0.899003 Co\n0.750000 0.971059 0.870062 Co\n0.250000 0.028941 0.129938 Co\n0.750000 0.774782 0.347224 Co\n0.250000 0.225218 0.652776 Co\n0.750000 0.572442 0.225218 Co\n0.250000 0.427558 0.774782 Co\n0.750000 0.652776 0.427558 Co\n0.250000 0.347224 0.572442 Co\n0.750000 0.951820 0.219402 Co\n0.250000 0.048180 0.780598 Co\n0.750000 0.267582 0.048180 Co\n0.250000 0.732418 0.951820 Co\n0.750000 0.780598 0.732418 Co\n0.250000 0.219402 0.267582 Co\n0.750000 0.443547 0.681917 Si\n0.250000 0.556453 0.318083 Si\n0.750000 0.238370 0.556453 Si\n0.250000 0.761630 0.443547 Si\n0.750000 0.318083 0.761630 Si\n0.250000 0.681917 0.238370 Si\n0.750000 0.751686 0.869714 Si\n0.250000 0.248314 0.130286 Si\n0.750000 0.118027 0.248314 Si\n0.250000 0.881973 0.751686 Si\n0.750000 0.130286 0.881973 Si\n0.250000 0.869714 0.118027 Si\n0.750000 0.938545 0.369935 Si\n0.250000 0.061455 0.630065 Si\n0.750000 0.431390 0.061455 Si\n0.250000 0.568610 0.938545 Si\n0.750000 0.630065 0.568610 Si\n0.250000 0.369935 0.431390 Si\n",
"nsites": 54,
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"formula_full": "Tm6 Co30 Si18",
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{
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