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{
"id": "mp-1112198",
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{
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},
{
"id": "mp-11565",
"created_at": "2022-09-04T14:39:06.485148Z",
"structure_string": "Y1 Rh5\n1.0\n2.626598 -4.549401 0.000000\n2.626598 4.549401 0.000000\n0.000000 0.000000 4.331052\nY Rh\n1 5\ndirect\n0.000000 0.000000 0.000000 Y\n0.666667 0.333333 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.333333 0.666667 0.000000 Rh\n",
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},
{
"id": "mp-30235",
"created_at": "2022-09-04T14:39:06.491082Z",
"structure_string": "Lu6 Ge6 Ir4\n1.0\n2.142163 -5.139736 0.000000\n2.142163 5.139736 0.000000\n0.000000 0.000000 14.111600\nLu Ge Ir\n6 6 4\ndirect\n0.415723 0.584277 0.389709 Lu\n0.415723 0.584277 0.110291 Lu\n0.856860 0.143140 0.750000 Lu\n0.143140 0.856859 0.250000 Lu\n0.584277 0.415723 0.610291 Lu\n0.584277 0.415723 0.889709 Lu\n0.878333 0.121667 0.535148 Ge\n0.878333 0.121667 0.964852 Ge\n0.848098 0.151902 0.250000 Ge\n0.121667 0.878333 0.035148 Ge\n0.121667 0.878333 0.464852 Ge\n0.151902 0.848098 0.750000 Ge\n0.299754 0.700246 0.603214 Ir\n0.700246 0.299754 0.103214 Ir\n0.299754 0.700246 0.896786 Ir\n0.700246 0.299754 0.396786 Ir\n",
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"formula_full": "Lu6 Ge6 Ir4",
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},
{
"id": "mp-995434",
"created_at": "2022-09-04T14:39:06.002877Z",
"structure_string": "Fe11 Mo1 C4\n1.0\n2.922469 0.000000 0.000000\n0.000000 5.585975 0.000000\n0.000000 0.000000 10.143677\nFe Mo C\n11 1 4\ndirect\n0.250116 0.000000 0.823648 Fe\n0.746232 0.241478 0.314217 Fe\n0.746232 0.241478 0.685783 Fe\n0.746232 0.758522 0.314217 Fe\n0.746232 0.758522 0.685783 Fe\n0.252585 0.500000 0.184833 Fe\n0.252585 0.500000 0.815167 Fe\n0.250116 0.000000 0.176352 Fe\n0.765215 0.744628 0.000000 Fe\n0.238246 0.000000 0.500000 Fe\n0.765215 0.255372 0.000000 Fe\n0.238772 0.500000 0.500000 Mo\n0.265345 0.500000 0.000000 C\n0.736387 0.774369 0.500000 C\n0.736387 0.225631 0.500000 C\n0.266247 0.000000 0.000000 C\n",
"nsites": 16,
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"elements": [
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"density": 7.603842739598413,
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"volume": 165.59389158303418,
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"formula_full": "Fe11 Mo1 C4",
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{
"id": "mp-1203353",
"created_at": "2022-09-04T14:39:05.746161Z",
"structure_string": "Sr20 Pb16\n1.0\n8.615907 0.000000 0.000000\n0.000000 9.026430 0.000000\n0.000000 0.000000 17.707516\nSr Pb\n20 16\ndirect\n0.657438 0.176440 0.623605 Sr\n0.157438 0.323560 0.876395 Sr\n0.342562 0.823560 0.123605 Sr\n0.842562 0.676440 0.376395 Sr\n0.342562 0.823560 0.376395 Sr\n0.842562 0.676440 0.123605 Sr\n0.657438 0.176440 0.876395 Sr\n0.157438 0.323560 0.623605 Sr\n0.495596 0.678332 0.597455 Sr\n0.995596 0.821668 0.902545 Sr\n0.504404 0.321668 0.097455 Sr\n0.004404 0.178332 0.402545 Sr\n0.504404 0.321668 0.402545 Sr\n0.004404 0.178332 0.097455 Sr\n0.495596 0.678332 0.902545 Sr\n0.995596 0.821668 0.597455 Sr\n0.826911 0.504525 0.750000 Sr\n0.326911 0.995475 0.750000 Sr\n0.173089 0.495475 0.250000 Sr\n0.673089 0.004525 0.250000 Sr\n0.672278 0.975223 0.462167 Pb\n0.172278 0.524777 0.037833 Pb\n0.327722 0.024777 0.962167 Pb\n0.827722 0.475223 0.537833 Pb\n0.327722 0.024777 0.537833 Pb\n0.827722 0.475223 0.962167 Pb\n0.672278 0.975223 0.037833 Pb\n0.172278 0.524777 0.462167 Pb\n0.453719 0.392703 0.750000 Pb\n0.953719 0.107297 0.750000 Pb\n0.546281 0.607297 0.250000 Pb\n0.046281 0.892703 0.250000 Pb\n0.702254 0.863672 0.750000 Pb\n0.202254 0.636328 0.750000 Pb\n0.297746 0.136328 0.250000 Pb\n0.797746 0.363672 0.250000 Pb\n",
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"elements": [
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"volume": 1377.1291271143446,
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"formula_full": "Sr20 Pb16",
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{
"id": "mp-695251",
"created_at": "2022-09-04T14:39:38.501771Z",
"structure_string": "Ca4 Al8 Si8 H36 O50\n1.0\n9.877060 0.000000 0.000000\n-0.419426 10.420211 0.000000\n-0.043123 -0.234700 10.716722\nCa Al Si H O\n4 8 8 36 50\ndirect\n0.152835 0.272519 0.570765 Ca\n0.426437 0.738726 0.115534 Ca\n0.642474 0.312746 0.876023 Ca\n0.849135 0.731232 0.349766 Ca\n0.200559 0.596258 0.880989 Al\n0.164438 0.078952 0.127667 Al\n0.315739 0.905350 0.617760 Al\n0.364630 0.402240 0.346500 Al\n0.648085 0.570340 0.642650 Al\n0.691792 0.105756 0.366869 Al\n0.806998 0.908826 0.903933 Al\n0.839853 0.418923 0.126482 Al\n0.143600 0.905595 0.878465 Si\n0.170486 0.400897 0.108997 Si\n0.322365 0.601964 0.580434 Si\n0.350573 0.093620 0.376188 Si\n0.642291 0.912763 0.662225 Si\n0.696618 0.409777 0.403743 Si\n0.031862 0.574505 0.666787 Si\n0.837055 0.023216 0.184922 Si\n0.964473 0.909503 0.707110 H\n0.028343 0.529487 0.285970 H\n0.079476 0.756662 0.574122 H\n0.131952 0.908628 0.419150 H\n0.129097 0.583600 0.387033 H\n0.124220 0.262192 0.335310 H\n0.366654 0.792115 0.870566 H\n0.342433 0.390507 0.895551 H\n0.415935 0.073040 0.938488 H\n0.355434 0.254723 0.086788 H\n0.347000 0.327052 0.712540 H\n0.447787 0.476619 0.823439 H\n0.482882 0.003334 0.171591 H\n0.435213 0.794670 0.370112 H\n0.507087 0.241088 0.660504 H\n0.492044 0.048138 0.814891 H\n0.558990 0.534678 0.264223 H\n0.502429 0.783163 0.336750 H\n0.670814 0.710409 0.894456 H\n0.601513 0.961744 0.080966 H\n0.682570 0.557799 0.065131 H\n0.577532 0.987351 0.486373 H\n0.647826 0.237119 0.592575 H\n0.767338 0.217689 0.092359 H\n0.787966 0.759607 0.686510 H\n0.847719 0.687895 0.081755 H\n0.973811 0.140068 0.912248 H\n0.857505 0.369181 0.611598 H\n0.903321 0.112978 0.569574 H\n0.964772 0.255404 0.335862 H\n0.907088 0.587006 0.854634 H\n0.004831 0.016430 0.621901 H\n0.888654 0.382980 0.749146 H\n0.028512 0.949176 0.321145 H\n0.013573 0.201828 0.923389 H\n0.985716 0.773927 0.096629 H\n0.979860 0.915165 0.865803 O\n0.997428 0.717033 0.612542 O\n0.042775 0.882996 0.384651 O\n0.017300 0.435953 0.143270 O\n0.038655 0.596457 0.353172 O\n0.179939 0.758294 0.916612 O\n0.206282 0.996530 0.990661 O\n0.210547 0.939328 0.743607 O\n0.204892 0.564396 0.702639 O\n0.204011 0.454692 0.967291 O\n0.197465 0.245471 0.103105 O\n0.277167 0.747848 0.553449 O\n0.277604 0.495269 0.473143 O\n0.276218 0.462258 0.215419 O\n0.276139 0.039712 0.249176 O\n0.290844 0.017938 0.499641 O\n0.311291 0.246032 0.403479 O\n0.421282 0.384625 0.836525 O\n0.472173 0.589195 0.633247 O\n0.481365 0.906731 0.677424 O\n0.448433 0.743901 0.890913 O\n0.476619 0.114765 0.877742 O\n0.502714 0.948160 0.099379 O\n0.460844 0.267963 0.082825 O\n0.513101 0.073875 0.362658 O\n0.535697 0.442189 0.383499 O\n0.553808 0.585799 0.185525 O\n0.600706 0.218128 0.673524 O\n0.629281 0.710017 0.214669 O\n0.702717 0.758441 0.637552 O\n0.668986 0.988131 0.527504 O\n0.727899 0.979483 0.774269 O\n0.703982 0.486292 0.765964 O\n0.744423 0.520219 0.510843 O\n0.716056 0.260269 0.454057 O\n0.762564 0.746841 0.889994 O\n0.772238 0.537570 0.033494 O\n0.784899 0.442212 0.281418 O\n0.777112 0.949127 0.309837 O\n0.770994 0.979461 0.049410 O\n0.790547 0.284329 0.030105 O\n0.498819 0.306033 0.200277 O\n0.906874 0.741939 0.141224 O\n0.386189 0.616990 0.922315 O\n0.774526 0.162050 0.228492 O\n0.926837 0.344520 0.672564 O\n0.999092 0.570065 0.821086 O\n0.999931 0.099278 0.576610 O\n0.044967 0.288041 0.382696 O\n0.002074 0.034391 0.182414 O\n",
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"formula_full": "Ca4 Al8 Si8 H36 O50",
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{
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"structure_string": "Na4 Si2 Bi2 C2 O14\n1.0\n6.955854 0.000000 0.000000\n0.000000 5.357678 0.000000\n0.000000 0.191287 9.309595\nNa Si Bi C O\n4 2 2 2 14\ndirect\n0.007306 0.231296 0.779254 Na\n0.492694 0.231296 0.779254 Na\n0.507306 0.768704 0.220746 Na\n0.992694 0.768704 0.220746 Na\n0.250000 0.709621 0.583667 Si\n0.750000 0.290379 0.416333 Si\n0.750000 0.785331 0.634074 Bi\n0.250000 0.214669 0.365926 Bi\n0.750000 0.727998 0.931705 C\n0.250000 0.272002 0.068295 C\n0.250000 0.295511 0.934027 O\n0.750000 0.947958 0.864752 O\n0.750000 0.531144 0.846690 O\n0.064801 0.824512 0.670303 O\n0.435199 0.824512 0.670303 O\n0.750000 0.197910 0.587794 O\n0.250000 0.401015 0.587982 O\n0.750000 0.598985 0.412018 O\n0.250000 0.802090 0.412206 O\n0.564801 0.175488 0.329697 O\n0.935199 0.175488 0.329697 O\n0.250000 0.468856 0.153310 O\n0.250000 0.052042 0.135248 O\n0.750000 0.704489 0.065973 O\n",
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{
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