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{
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{
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{
"id": "mp-1225487",
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"structure_string": "K6 In16 Au16\n1.0\n0.000000 -0.010569 5.890714\n13.096406 0.000000 0.000000\n0.000000 13.034925 -0.024766\nK In Au\n6 16 16\ndirect\n0.249458 0.999300 0.498797 K\n0.249458 0.500700 0.498797 K\n0.750349 0.001010 0.999298 K\n0.750349 0.498990 0.999298 K\n0.749637 0.000760 0.501305 K\n0.749637 0.499240 0.501305 K\n0.979091 0.124954 0.751516 In\n0.979091 0.375046 0.751516 In\n0.470319 0.750000 0.123717 In\n0.476420 0.750000 0.374412 In\n0.028177 0.875855 0.248277 In\n0.028177 0.624145 0.248277 In\n0.519758 0.250000 0.875304 In\n0.525777 0.250000 0.625214 In\n0.634216 0.625043 0.750301 In\n0.634216 0.874957 0.750301 In\n0.137387 0.750000 0.626156 In\n0.142411 0.750000 0.876961 In\n0.360376 0.375694 0.247259 In\n0.360376 0.124306 0.247259 In\n0.862783 0.250000 0.374920 In\n0.862956 0.250000 0.125540 In\n0.479860 0.076536 0.748246 Au\n0.479860 0.423464 0.748246 Au\n0.976781 0.750000 0.077023 Au\n0.979845 0.750000 0.423134 Au\n0.521811 0.923478 0.252010 Au\n0.521811 0.576522 0.252010 Au\n0.021335 0.250000 0.923840 Au\n0.020849 0.250000 0.576717 Au\n0.126670 0.575539 0.749053 Au\n0.126670 0.924461 0.749053 Au\n0.627698 0.750000 0.575310 Au\n0.630863 0.750000 0.924181 Au\n0.871942 0.424462 0.252293 Au\n0.871942 0.075538 0.252293 Au\n0.372424 0.250000 0.424085 Au\n0.369220 0.250000 0.075377 Au\n",
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{
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"created_at": "2022-09-04T14:39:13.916466Z",
"structure_string": "Th1 Ru3 C1\n1.0\n4.232082 0.000000 0.000000\n0.000000 4.232082 0.000000\n0.000000 0.000000 4.232082\nTh Ru C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 C\n",
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{
"id": "mp-1201249",
"created_at": "2022-09-04T14:39:13.917763Z",
"structure_string": "Mn2 Fe4 Pb16 F48\n1.0\n5.733357 0.000000 0.000000\n0.000000 9.569576 0.000000\n0.000000 5.150002 19.790962\nMn Fe Pb F\n2 4 16 48\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.498222 0.250840 0.047055 Fe\n0.998222 0.749160 0.452945 Fe\n0.501778 0.749160 0.952945 Fe\n0.001778 0.250840 0.547055 Fe\n0.500070 0.440849 0.411541 Pb\n0.000070 0.559151 0.088459 Pb\n0.499930 0.559151 0.588459 Pb\n0.999930 0.440849 0.911541 Pb\n0.470445 0.824643 0.131374 Pb\n0.970445 0.175357 0.368626 Pb\n0.529555 0.175357 0.868626 Pb\n0.029555 0.824643 0.631374 Pb\n0.501970 0.902247 0.320663 Pb\n0.001970 0.097753 0.179337 Pb\n0.498030 0.097753 0.679337 Pb\n0.998030 0.902247 0.820663 Pb\n0.471546 0.357215 0.225705 Pb\n0.971546 0.642785 0.274295 Pb\n0.528454 0.642785 0.774295 Pb\n0.028454 0.357215 0.725705 Pb\n0.241594 0.125058 0.275406 F\n0.741594 0.874942 0.224594 F\n0.758406 0.874942 0.724594 F\n0.258406 0.125058 0.775406 F\n0.743920 0.132022 0.271461 F\n0.243920 0.867978 0.228539 F\n0.256080 0.867978 0.728539 F\n0.756080 0.132022 0.771461 F\n0.247993 0.391026 0.320972 F\n0.747993 0.608974 0.179028 F\n0.752007 0.608974 0.679028 F\n0.252007 0.391026 0.820972 F\n0.759976 0.391193 0.316324 F\n0.259976 0.608807 0.183676 F\n0.240024 0.608807 0.683676 F\n0.740024 0.391193 0.816324 F\n0.563264 0.645381 0.320611 F\n0.063264 0.354619 0.179389 F\n0.436736 0.354619 0.679389 F\n0.936736 0.645381 0.820611 F\n0.425896 0.136893 0.140227 F\n0.925896 0.863107 0.359773 F\n0.574104 0.863107 0.859773 F\n0.074104 0.136893 0.640227 F\n0.213731 0.366414 0.042471 F\n0.713731 0.633586 0.457529 F\n0.786269 0.633586 0.957529 F\n0.286269 0.366414 0.542471 F\n0.925939 0.339270 0.452864 F\n0.425939 0.660730 0.047136 F\n0.074061 0.660730 0.547136 F\n0.574061 0.339270 0.952864 F\n0.557460 0.144864 0.405448 F\n0.057460 0.855136 0.094552 F\n0.442540 0.855136 0.594552 F\n0.942540 0.144864 0.905448 F\n0.782467 0.126429 0.052711 F\n0.282467 0.873571 0.447289 F\n0.217533 0.873571 0.947289 F\n0.717533 0.126429 0.552711 F\n0.178885 0.622710 0.410892 F\n0.678885 0.377290 0.089108 F\n0.821115 0.377290 0.589108 F\n0.321115 0.622710 0.910892 F\n0.317511 0.106913 0.014438 F\n0.817511 0.893087 0.485562 F\n0.682489 0.893087 0.985562 F\n0.182489 0.106913 0.514438 F\n",
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{
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{
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"structure_string": "Ca2 Cu4 O6\n1.0\n3.651270 0.000000 0.000000\n0.000000 4.136283 0.000000\n0.000000 0.000000 10.089055\nCa Cu O\n2 4 6\ndirect\n0.387778 0.000000 0.000000 Ca\n0.612222 0.500000 0.500000 Ca\n0.125279 0.000000 0.663703 Cu\n0.125279 0.000000 0.336297 Cu\n0.874721 0.500000 0.836297 Cu\n0.874721 0.500000 0.163703 Cu\n0.632773 0.500000 0.000000 O\n0.367227 0.000000 0.500000 O\n0.911578 0.000000 0.165118 O\n0.088422 0.500000 0.665118 O\n0.088422 0.500000 0.334882 O\n0.911578 0.000000 0.834882 O\n",
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{
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"structure_string": "Li9 Mn21 O40\n1.0\n-2.903736 2.903736 4.357819\n2.902579 -2.902579 4.356294\n12.011323 17.817636 0.000762\nLi Mn O\n9 21 40\ndirect\n0.976445 0.773555 0.047112 Li\n0.373553 0.376447 0.252893 Li\n0.825800 0.424200 0.348398 Li\n0.772913 0.977087 0.454176 Li\n0.225658 0.024342 0.548684 Li\n0.577080 0.172920 0.845838 Li\n0.175004 0.574996 0.649993 Li\n0.624369 0.625631 0.751263 Li\n0.024222 0.225778 0.951556 Li\n0.499297 0.000811 0.997587 Mn\n0.898062 0.104007 0.200855 Mn\n0.503116 0.496775 0.997587 Mn\n0.704099 0.298144 0.099204 Mn\n0.196698 0.301060 0.099204 Mn\n0.901083 0.596848 0.200855 Mn\n0.425005 0.824995 0.149991 Mn\n0.299107 0.200748 0.401332 Mn\n0.600682 0.899212 0.302443 Mn\n0.902545 0.097932 0.699322 Mn\n0.697965 0.302513 0.600665 Mn\n0.299562 0.700584 0.401332 Mn\n0.499267 0.499898 0.500886 Mn\n0.096875 0.903231 0.302443 Mn\n0.701369 0.798151 0.600665 Mn\n0.398132 0.101390 0.699322 Mn\n0.999847 0.500988 0.500886 Mn\n0.800733 0.699107 0.898671 Mn\n0.101026 0.399850 0.799082 Mn\n0.099892 0.899232 0.799082 Mn\n0.300596 0.699566 0.898671 Mn\n0.943924 0.073125 0.106366 O\n0.725109 0.258842 0.005369 O\n0.949710 0.533242 0.106366 O\n0.269522 0.246527 0.005369 O\n0.448619 0.071194 0.094830 O\n0.858886 0.125125 0.294675 O\n0.456551 0.523635 0.094830 O\n0.673133 0.343924 0.193667 O\n0.133201 0.349743 0.193667 O\n0.671082 0.848595 0.205170 O\n0.356050 0.132628 0.309546 O\n0.846439 0.669550 0.294675 O\n0.334404 0.676917 0.309546 O\n0.123746 0.856575 0.205170 O\n0.513635 0.439538 0.403564 O\n0.732936 0.273669 0.508996 O\n0.918357 0.048850 0.606218 O\n0.920163 0.540367 0.598037 O\n0.515624 0.937916 0.399405 O\n0.758067 0.735328 0.508996 O\n0.082801 0.464026 0.403564 O\n0.475425 0.057368 0.606218 O\n0.240422 0.266725 0.493075 O\n0.873723 0.132891 0.790981 O\n0.481801 0.557669 0.598037 O\n0.084971 0.961488 0.399405 O\n0.266502 0.726351 0.493075 O\n0.649047 0.318404 0.693737 O\n0.866684 0.640474 0.806920 O\n0.335296 0.158090 0.790981 O\n0.657217 0.875333 0.693737 O\n0.140457 0.320321 0.701948 O\n0.561484 0.484919 0.900625 O\n0.157594 0.881628 0.701948 O\n0.326396 0.666447 0.806920 O\n0.064032 0.482764 0.896410 O\n0.732580 0.756040 0.990460 O\n0.537890 0.915706 0.900625 O\n0.276959 0.734420 0.990460 O\n0.039558 0.913647 0.896410 O\n",
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"spacegroup": 22
},
{
"id": "mp-1194635",
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"structure_string": "Tb4 Fe34\n1.0\n0.000000 0.000000 -8.249664\n-4.241457 -7.342113 0.000000\n-4.241457 7.342113 0.000000\nTb Fe\n4 34\ndirect\n0.750000 0.000023 0.999977 Tb\n0.250000 0.999977 0.000023 Tb\n0.250000 0.666597 0.333403 Tb\n0.750000 0.333403 0.666597 Tb\n0.606768 0.666662 0.333338 Fe\n0.393232 0.333338 0.666662 Fe\n0.106768 0.333338 0.666662 Fe\n0.893232 0.666662 0.333338 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.750000 0.670112 0.038577 Fe\n0.750000 0.368502 0.329993 Fe\n0.750000 0.961420 0.631514 Fe\n0.750000 0.368486 0.038580 Fe\n0.750000 0.961423 0.329888 Fe\n0.750000 0.670006 0.631498 Fe\n0.250000 0.329888 0.961423 Fe\n0.250000 0.631498 0.670006 Fe\n0.250000 0.038580 0.368486 Fe\n0.250000 0.631514 0.961420 Fe\n0.250000 0.038577 0.670112 Fe\n0.250000 0.329993 0.368502 Fe\n0.485444 0.833789 0.667761 Fe\n0.485391 0.833880 0.166120 Fe\n0.485444 0.332239 0.166211 Fe\n0.514556 0.166211 0.332239 Fe\n0.514609 0.166120 0.833880 Fe\n0.514556 0.667761 0.833789 Fe\n0.985444 0.166211 0.332239 Fe\n0.985391 0.166120 0.833880 Fe\n0.985444 0.667761 0.833789 Fe\n0.014556 0.833789 0.667761 Fe\n0.014609 0.833880 0.166120 Fe\n0.014556 0.332239 0.166211 Fe\n",
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{
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}