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{
"id": "mp-510592",
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"structure_string": "Tb20 Co4 Sb8\n1.0\n7.917466 0.000000 0.000000\n0.000000 8.808844 0.000000\n0.000000 0.000000 12.243024\nTb Co Sb\n20 4 8\ndirect\n0.154722 0.750000 0.203709 Tb\n0.654722 0.250000 0.296291 Tb\n0.845278 0.250000 0.796291 Tb\n0.345278 0.750000 0.703709 Tb\n0.454047 0.750000 0.997956 Tb\n0.954047 0.250000 0.502044 Tb\n0.545953 0.250000 0.002044 Tb\n0.045953 0.750000 0.497956 Tb\n0.621928 0.750000 0.305334 Tb\n0.121928 0.250000 0.194666 Tb\n0.378072 0.250000 0.694666 Tb\n0.878072 0.750000 0.805334 Tb\n0.821526 0.963268 0.064764 Tb\n0.321526 0.036732 0.435236 Tb\n0.178474 0.463268 0.935236 Tb\n0.678474 0.536732 0.564764 Tb\n0.178474 0.036732 0.935236 Tb\n0.678474 0.963268 0.564764 Tb\n0.821526 0.536732 0.064764 Tb\n0.321526 0.463268 0.435236 Tb\n0.429904 0.750000 0.489170 Co\n0.929904 0.250000 0.010830 Co\n0.570096 0.250000 0.510830 Co\n0.070096 0.750000 0.989170 Co\n0.927792 0.991720 0.326889 Sb\n0.427792 0.008280 0.173111 Sb\n0.072208 0.491720 0.673111 Sb\n0.572208 0.508280 0.826889 Sb\n0.072208 0.008280 0.673111 Sb\n0.572208 0.991720 0.826889 Sb\n0.927792 0.508280 0.326889 Sb\n0.427792 0.491720 0.173111 Sb\n",
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{
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"structure_string": "Cs8 Mg1 Sn8 O12\n1.0\n6.254794 -0.087666 -0.148354\n-0.148484 9.504092 0.319021\n-0.351999 0.456865 14.390336\nCs Mg Sn O\n8 1 8 12\ndirect\n0.226264 0.554165 0.381044 Cs\n0.730703 0.459177 0.624064 Cs\n0.739451 0.016262 0.137350 Cs\n0.256802 0.935241 0.859148 Cs\n0.429888 0.314155 0.052641 Cs\n0.780698 0.630498 0.899049 Cs\n0.748645 0.859819 0.411553 Cs\n0.221087 0.150128 0.590561 Cs\n0.975107 0.391439 0.154487 Mg\n0.212065 0.807366 0.157148 Sn\n0.752078 0.182963 0.841769 Sn\n0.742539 0.294437 0.362204 Sn\n0.234207 0.704439 0.638243 Sn\n0.245984 0.113736 0.301298 Sn\n0.741286 0.884286 0.691205 Sn\n0.689673 0.624901 0.213382 Sn\n0.250405 0.379817 0.787157 Sn\n0.003401 0.273632 0.272611 O\n0.494381 0.741523 0.730113 O\n0.953547 0.761396 0.243961 O\n0.486568 0.239733 0.752407 O\n0.990435 0.742130 0.728042 O\n0.513909 0.235847 0.262165 O\n0.992351 0.244385 0.751067 O\n0.463179 0.765957 0.256524 O\n0.219004 0.027757 0.172824 O\n0.755119 0.967418 0.821770 O\n0.719026 0.512713 0.344499 O\n0.234280 0.484681 0.654305 O\n",
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"formula_full": "Cs8 Mg1 Sn8 O12",
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{
"id": "mp-1180640",
"created_at": "2022-09-04T14:43:56.870717Z",
"structure_string": "Na2 Zn4 P6 O38\n1.0\n8.451101 0.000000 0.000000\n-3.539558 9.815572 0.000000\n-2.094368 -2.653261 10.293552\nNa Zn P O\n2 4 6 38\ndirect\n0.623340 0.001711 0.847040 Na\n0.376660 0.998289 0.152960 Na\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.241557 0.507555 0.952468 Zn\n0.758443 0.492445 0.047532 Zn\n0.051515 0.712909 0.937557 P\n0.948485 0.287091 0.062443 P\n0.734581 0.716750 0.772453 P\n0.265419 0.283250 0.227547 P\n0.494367 0.445164 0.787067 P\n0.505633 0.554836 0.212933 P\n0.129239 0.876458 0.987289 O\n0.870761 0.123542 0.012711 O\n0.188937 0.664423 0.898854 O\n0.811063 0.335577 0.101146 O\n0.037063 0.354879 0.967849 O\n0.962937 0.645121 0.032151 O\n0.904145 0.677858 0.799036 O\n0.095855 0.322142 0.200964 O\n0.782681 0.867459 0.849635 O\n0.217319 0.132541 0.150365 O\n0.661568 0.688924 0.628502 O\n0.338432 0.311076 0.371498 O\n0.599406 0.620508 0.835998 O\n0.400594 0.379492 0.164002 O\n0.608679 0.388172 0.870807 O\n0.391321 0.611828 0.129193 O\n0.318917 0.420631 0.816370 O\n0.681083 0.579369 0.183630 O\n0.482217 0.402174 0.643555 O\n0.517783 0.597826 0.356445 O\n0.256756 0.103408 0.842692 O\n0.743244 0.896592 0.157308 O\n0.208958 0.533009 0.474343 O\n0.791042 0.466991 0.525657 O\n0.292348 0.893281 0.722592 O\n0.707652 0.106719 0.277408 O\n0.603967 0.040724 0.609095 O\n0.396033 0.959276 0.390905 O\n0.394011 0.090802 0.888747 O\n0.605989 0.909198 0.111253 O\n0.978860 0.373763 0.594221 O\n0.021140 0.626237 0.405779 O\n0.820608 0.356525 0.544804 O\n0.179392 0.643475 0.455196 O\n0.164863 0.924252 0.691430 O\n0.835137 0.075748 0.308570 O\n0.363026 0.023410 0.482321 O\n0.636974 0.976590 0.517679 O\n",
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"formula_full": "Na2 Zn4 P6 O38",
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"spacegroup": 2
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{
"id": "mp-734274",
"created_at": "2022-09-04T14:40:09.185667Z",
"structure_string": "Ca16 Si8 O40\n1.0\n7.325848 0.000000 0.000000\n0.000000 10.659723 0.000000\n0.000000 0.000000 10.934428\nCa Si O\n16 8 40\ndirect\n0.999351 0.695734 0.760533 Ca\n0.499351 0.804266 0.239467 Ca\n0.000649 0.195734 0.739467 Ca\n0.500649 0.304266 0.260533 Ca\n0.000649 0.304266 0.239467 Ca\n0.500649 0.195734 0.760533 Ca\n0.999351 0.804266 0.260533 Ca\n0.499351 0.695734 0.739467 Ca\n0.755072 0.066405 0.077509 Ca\n0.255072 0.433595 0.922491 Ca\n0.244928 0.566405 0.422491 Ca\n0.744928 0.933595 0.577509 Ca\n0.244928 0.933595 0.922491 Ca\n0.744928 0.566405 0.077509 Ca\n0.755072 0.433595 0.577509 Ca\n0.255072 0.066405 0.422491 Ca\n0.231576 0.316749 0.541407 Si\n0.731576 0.183251 0.458593 Si\n0.768424 0.816749 0.958593 Si\n0.268424 0.683251 0.041407 Si\n0.768424 0.683251 0.458593 Si\n0.268424 0.816749 0.541407 Si\n0.231576 0.183251 0.041407 Si\n0.731576 0.316749 0.958593 Si\n0.973093 0.424723 0.807530 O\n0.473093 0.075277 0.192470 O\n0.026907 0.924723 0.692470 O\n0.526907 0.575277 0.307530 O\n0.026907 0.575277 0.192470 O\n0.526907 0.924723 0.807530 O\n0.973093 0.075277 0.307530 O\n0.473093 0.424723 0.692470 O\n0.050520 0.382788 0.592455 O\n0.550520 0.117212 0.407545 O\n0.949480 0.882788 0.907545 O\n0.449480 0.617212 0.092455 O\n0.949480 0.617212 0.407545 O\n0.449480 0.882788 0.592455 O\n0.050520 0.117212 0.092455 O\n0.550520 0.382788 0.907545 O\n0.264065 0.182255 0.609363 O\n0.764065 0.317745 0.390637 O\n0.735935 0.682255 0.890637 O\n0.235935 0.817745 0.109363 O\n0.735935 0.817745 0.390637 O\n0.235935 0.682255 0.609363 O\n0.264065 0.317745 0.109363 O\n0.764065 0.182255 0.890637 O\n0.416379 0.410551 0.559048 O\n0.916379 0.089449 0.440952 O\n0.583621 0.910551 0.940952 O\n0.083621 0.589449 0.059048 O\n0.583621 0.589449 0.440952 O\n0.083621 0.910551 0.559048 O\n0.416379 0.089449 0.059048 O\n0.916379 0.410551 0.940952 O\n0.235996 0.311456 0.389956 O\n0.735996 0.188544 0.610044 O\n0.764004 0.811456 0.110044 O\n0.264004 0.688544 0.889956 O\n0.764004 0.688544 0.610044 O\n0.264004 0.811456 0.389956 O\n0.235996 0.188544 0.889956 O\n0.735996 0.311456 0.110044 O\n",
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"formula_full": "Ca16 Si8 O40",
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{
"id": "mp-555315",
"created_at": "2022-09-04T14:40:57.241717Z",
"structure_string": "Zr6 Cd6 Ag2 F40\n1.0\n5.378519 -9.315867 0.000000\n5.378519 9.315867 0.000000\n0.000000 0.000000 8.520951\nZr Cd Ag F\n6 6 2 40\ndirect\n0.584627 0.722462 0.250000 Zr\n0.862165 0.584627 0.750000 Zr\n0.415373 0.277538 0.750000 Zr\n0.137835 0.415373 0.250000 Zr\n0.277538 0.862165 0.250000 Zr\n0.722462 0.137835 0.750000 Zr\n0.162678 0.433915 0.750000 Cd\n0.566085 0.728763 0.750000 Cd\n0.837322 0.566085 0.250000 Cd\n0.728763 0.162678 0.250000 Cd\n0.271237 0.837322 0.750000 Cd\n0.433915 0.271237 0.250000 Cd\n0.000000 0.000000 0.250000 Ag\n0.000000 0.000000 0.750000 Ag\n0.366530 0.550135 0.250000 F\n0.720189 0.145417 0.987761 F\n0.765000 0.965007 0.750000 F\n0.775364 0.719434 0.750000 F\n0.000000 0.000000 0.000000 F\n0.200006 0.235000 0.750000 F\n0.034993 0.799994 0.750000 F\n0.055930 0.775364 0.250000 F\n0.279811 0.854583 0.487761 F\n0.145417 0.425228 0.487761 F\n0.633470 0.449865 0.750000 F\n0.940698 0.413138 0.250000 F\n0.799994 0.765000 0.250000 F\n0.854583 0.574772 0.987761 F\n0.574772 0.720189 0.012239 F\n0.235000 0.034993 0.250000 F\n0.719434 0.944070 0.250000 F\n0.816395 0.366530 0.750000 F\n0.224636 0.280566 0.250000 F\n0.472440 0.059302 0.250000 F\n0.279811 0.854583 0.012239 F\n0.527560 0.940698 0.750000 F\n0.425228 0.279811 0.987761 F\n0.413138 0.472440 0.750000 F\n0.145417 0.425228 0.012239 F\n0.720189 0.145417 0.512239 F\n0.280566 0.055930 0.750000 F\n0.854583 0.574772 0.512239 F\n0.059302 0.586862 0.750000 F\n0.449865 0.816395 0.250000 F\n0.000000 0.000000 0.500000 F\n0.586862 0.527560 0.250000 F\n0.550135 0.183605 0.750000 F\n0.944070 0.224636 0.750000 F\n0.425228 0.279811 0.512239 F\n0.666667 0.333333 0.250000 F\n0.965007 0.200006 0.250000 F\n0.574772 0.720189 0.487761 F\n0.183605 0.633470 0.250000 F\n0.333333 0.666667 0.750000 F\n",
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{
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"structure_string": "La3 Cd33\n1.0\n9.487197 0.000000 0.000000\n0.000000 9.487197 0.000000\n0.000000 0.000000 9.487197\nLa Cd\n3 33\ndirect\n0.500000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.000000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 Cd\n0.154842 0.154842 0.845158 Cd\n0.154842 0.845158 0.154842 Cd\n0.845158 0.154842 0.154842 Cd\n0.845158 0.845158 0.845158 Cd\n0.845158 0.845158 0.154842 Cd\n0.845158 0.154842 0.845158 Cd\n0.154842 0.845158 0.845158 Cd\n0.154842 0.154842 0.154842 Cd\n0.000000 0.345921 0.654079 Cd\n0.345921 0.345921 0.000000 Cd\n0.345921 0.000000 0.654079 Cd\n0.000000 0.654079 0.345921 Cd\n0.345921 0.654079 0.000000 Cd\n0.345921 0.000000 0.345921 Cd\n0.000000 0.345921 0.345921 Cd\n0.654079 0.345921 0.000000 Cd\n0.654079 0.000000 0.345921 Cd\n0.000000 0.654079 0.654079 Cd\n0.654079 0.654079 0.000000 Cd\n0.654079 0.000000 0.654079 Cd\n0.500000 0.266827 0.733173 Cd\n0.266827 0.266827 0.500000 Cd\n0.266827 0.500000 0.733173 Cd\n0.500000 0.733173 0.266827 Cd\n0.266827 0.733173 0.500000 Cd\n0.266827 0.500000 0.266827 Cd\n0.500000 0.266827 0.266827 Cd\n0.733173 0.266827 0.500000 Cd\n0.733173 0.500000 0.266827 Cd\n0.500000 0.733173 0.733173 Cd\n0.733173 0.733173 0.500000 Cd\n0.733173 0.500000 0.733173 Cd\n",
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{
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"structure_string": "Zn1 In1 Rh2\n1.0\n-5.058127 5.457811 7.733130\n5.058127 -5.457811 7.733130\n5.058127 5.457811 -7.733130\nZn In Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n0.000000 0.246438 0.246438 Rh\n0.000000 0.753562 0.753562 Rh\n",
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{
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