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{
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{
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"created_at": "2022-09-04T14:47:16.596651Z",
"structure_string": "K2 Yb2 W4 O16\n1.0\n6.938351 0.076277 3.564849\n-1.613319 6.748610 3.564849\n0.123189 0.157887 7.484861\nK Yb W O\n2 2 4 16\ndirect\n0.286373 0.713627 0.750000 K\n0.713627 0.286373 0.250000 K\n0.274853 0.725147 0.250000 Yb\n0.725148 0.274854 0.749999 Yb\n0.802017 0.808605 0.701486 W\n0.197983 0.191396 0.298514 W\n0.191395 0.197983 0.798515 W\n0.808604 0.802016 0.201486 W\n0.243563 0.125949 0.562911 O\n0.874052 0.756436 0.937089 O\n0.756436 0.874052 0.437090 O\n0.125950 0.243564 0.062910 O\n0.163409 0.447833 0.624727 O\n0.552168 0.836591 0.875272 O\n0.836592 0.552168 0.375272 O\n0.447832 0.163409 0.124727 O\n0.243915 0.457486 0.202114 O\n0.542514 0.756085 0.297885 O\n0.756085 0.542514 0.797886 O\n0.457485 0.243915 0.702114 O\n0.119832 0.900133 0.038951 O\n0.880169 0.099866 0.961048 O\n0.099867 0.880168 0.461049 O\n0.900133 0.119832 0.538951 O\n",
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{
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{
"id": "mp-776144",
"created_at": "2022-09-04T14:43:58.258826Z",
"structure_string": "Ti3 Fe1 Sn2 P6 O24\n1.0\n8.070823 -4.328083 0.000000\n8.070823 4.328083 0.000000\n5.749833 0.000000 7.128107\nTi Fe Sn P O\n3 1 2 6 24\ndirect\n0.855510 0.855510 0.855510 Ti\n0.647307 0.647307 0.647307 Ti\n0.343350 0.343350 0.343350 Ti\n0.153174 0.153174 0.153174 Fe\n0.017470 0.017470 0.017470 Sn\n0.485554 0.485554 0.485554 Sn\n0.471526 0.036910 0.742265 P\n0.036910 0.742265 0.471526 P\n0.742265 0.471526 0.036910 P\n0.250559 0.540147 0.953674 P\n0.953674 0.250559 0.540147 P\n0.540147 0.953674 0.250559 P\n0.695379 0.511654 0.878970 O\n0.511654 0.878970 0.695379 O\n0.068212 0.714306 0.941048 O\n0.878970 0.695379 0.511654 O\n0.248047 0.372782 0.960296 O\n0.416069 0.596991 0.781495 O\n0.941048 0.068212 0.714306 O\n0.781495 0.416069 0.596991 O\n0.633475 0.006506 0.778596 O\n0.596991 0.781495 0.416069 O\n0.286516 0.057278 0.913886 O\n0.006506 0.778596 0.633475 O\n0.960296 0.248047 0.372782 O\n0.714306 0.941048 0.068212 O\n0.444933 0.222407 0.566558 O\n0.372782 0.960296 0.248047 O\n0.222407 0.566558 0.444933 O\n0.057278 0.913886 0.286516 O\n0.566558 0.444933 0.222407 O\n0.778596 0.633475 0.006506 O\n0.132942 0.273434 0.500775 O\n0.913886 0.286516 0.057278 O\n0.500775 0.132942 0.273434 O\n0.273434 0.500775 0.132942 O\n",
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{
"id": "mp-757627",
"created_at": "2022-09-04T14:41:06.787933Z",
"structure_string": "Li4 V12 P12 O44\n1.0\n9.758944 0.000000 0.000000\n0.000000 10.006444 0.000000\n0.000000 5.305599 8.938296\nLi V P O\n4 12 12 44\ndirect\n0.773384 0.360026 0.121084 Li\n0.726616 0.360026 0.621084 Li\n0.273384 0.639974 0.378916 Li\n0.226616 0.639974 0.878916 Li\n0.866431 0.725509 0.636852 V\n0.631717 0.094411 0.400294 V\n0.362102 0.072913 0.234997 V\n0.366431 0.274491 0.863148 V\n0.862102 0.927087 0.265003 V\n0.868283 0.094411 0.900294 V\n0.131717 0.905589 0.099706 V\n0.137898 0.072913 0.734997 V\n0.633569 0.725509 0.136852 V\n0.637898 0.927087 0.765003 V\n0.368283 0.905589 0.599706 V\n0.133569 0.274491 0.363148 V\n0.557272 0.598128 0.765279 P\n0.057272 0.401872 0.734721 P\n0.070711 0.241362 0.063381 P\n0.656558 0.120108 0.057845 P\n0.156558 0.879892 0.442155 P\n0.429289 0.241362 0.563381 P\n0.570711 0.758638 0.436619 P\n0.843442 0.120108 0.557845 P\n0.343442 0.879892 0.942155 P\n0.929289 0.758638 0.936619 P\n0.942728 0.598128 0.265279 P\n0.442728 0.401872 0.234721 P\n0.219086 0.756404 0.590603 O\n0.709889 0.571402 0.793949 O\n0.526345 0.618743 0.597479 O\n0.455565 0.473797 0.863349 O\n0.480937 0.241452 0.255147 O\n0.017048 0.279656 0.177304 O\n0.955565 0.526203 0.636651 O\n0.026345 0.381257 0.902521 O\n0.209889 0.428598 0.706051 O\n0.219548 0.042178 0.409613 O\n0.226793 0.223587 0.057328 O\n0.719514 0.134601 0.191220 O\n0.719086 0.243596 0.909397 O\n0.499667 0.119814 0.056716 O\n0.498374 0.909828 0.417650 O\n0.998374 0.090172 0.082350 O\n0.019063 0.241452 0.755147 O\n0.999667 0.880186 0.443284 O\n0.482952 0.279656 0.677304 O\n0.219514 0.865399 0.308780 O\n0.280452 0.042178 0.909613 O\n0.273207 0.223587 0.557328 O\n0.726793 0.776413 0.442672 O\n0.719548 0.957822 0.090387 O\n0.780486 0.134601 0.691220 O\n0.517048 0.720344 0.322696 O\n0.000333 0.119814 0.556716 O\n0.980937 0.758548 0.244853 O\n0.001626 0.909828 0.917650 O\n0.501626 0.090172 0.582350 O\n0.500333 0.880186 0.943284 O\n0.280914 0.756404 0.090603 O\n0.280486 0.865399 0.808780 O\n0.773207 0.776413 0.942672 O\n0.780452 0.957822 0.590387 O\n0.790111 0.571402 0.293949 O\n0.973655 0.618743 0.097479 O\n0.044435 0.473797 0.363349 O\n0.982952 0.720344 0.822696 O\n0.519063 0.758548 0.744853 O\n0.544435 0.526203 0.136651 O\n0.473655 0.381257 0.402521 O\n0.290111 0.428598 0.206051 O\n0.780914 0.243596 0.409397 O\n",
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{
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{
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{
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{
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"structure_string": "Ca4 Mn8 O16\n1.0\n3.112464 5.446092 0.066595\n3.096074 -1.682149 10.109371\n6.356619 -0.078248 -0.065547\nCa Mn O\n4 8 16\ndirect\n0.012384 0.001664 0.977530 Ca\n0.522511 0.505969 0.961816 Ca\n0.938339 0.311135 0.118557 Ca\n0.434200 0.811990 0.133052 Ca\n0.934451 0.814195 0.634259 Mn\n0.187592 0.563058 0.630208 Mn\n0.431703 0.813488 0.633728 Mn\n0.352863 0.118277 0.278924 Mn\n0.854147 0.619168 0.287563 Mn\n0.438226 0.310129 0.615428 Mn\n0.683541 0.061934 0.621116 Mn\n0.950306 0.313302 0.610957 Mn\n0.543436 0.182167 0.849169 O\n0.053774 0.688742 0.900523 O\n0.346682 0.417796 0.385318 O\n0.799746 0.960787 0.396816 O\n0.560069 0.184805 0.418909 O\n0.057433 0.686526 0.436056 O\n0.779609 0.410035 0.433428 O\n0.274946 0.914871 0.441546 O\n0.006572 0.181536 0.431735 O\n0.504838 0.684467 0.445405 O\n0.884031 0.437931 0.799021 O\n0.379286 0.943540 0.812765 O\n0.106238 0.216290 0.799790 O\n0.599634 0.721987 0.810836 O\n0.314837 0.430062 0.813348 O\n0.798597 0.944152 0.822206 O\n",
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{
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"structure_string": "Ca4 La8 Fe12 O36\n1.0\n5.544406 0.000000 0.000000\n0.000000 7.847928 0.000000\n0.000000 0.000000 16.663236\nCa La Fe O\n4 8 12 36\ndirect\n0.006480 0.750000 0.344558 Ca\n0.493520 0.750000 0.844558 Ca\n0.993520 0.250000 0.655442 Ca\n0.506480 0.250000 0.155442 Ca\n0.003116 0.750000 0.008406 La\n0.007653 0.750000 0.677587 La\n0.492347 0.750000 0.177587 La\n0.496884 0.750000 0.508406 La\n0.992347 0.250000 0.322413 La\n0.996884 0.250000 0.991594 La\n0.503116 0.250000 0.491594 La\n0.507653 0.250000 0.822413 La\n0.499638 0.501387 0.332474 Fe\n0.500000 0.500000 0.000000 Fe\n0.500362 0.498613 0.667526 Fe\n0.000000 0.000000 0.500000 Fe\n0.999638 0.001387 0.167526 Fe\n0.000362 0.998613 0.832474 Fe\n0.499638 0.998613 0.332474 Fe\n0.500000 0.000000 0.000000 Fe\n0.500362 0.001387 0.667526 Fe\n0.000000 0.500000 0.500000 Fe\n0.999638 0.498613 0.167526 Fe\n0.000362 0.501387 0.832474 Fe\n0.287286 0.965471 0.428890 O\n0.281083 0.960264 0.094507 O\n0.287593 0.959149 0.762699 O\n0.212407 0.540851 0.262699 O\n0.212714 0.534529 0.928890 O\n0.218917 0.539736 0.594507 O\n0.712407 0.459149 0.237301 O\n0.718917 0.460264 0.905493 O\n0.712714 0.465471 0.571110 O\n0.781083 0.039736 0.405493 O\n0.787286 0.034529 0.071110 O\n0.787593 0.040851 0.737301 O\n0.712407 0.040851 0.237301 O\n0.718917 0.039736 0.905493 O\n0.712714 0.034529 0.571110 O\n0.781083 0.460264 0.405493 O\n0.787286 0.465471 0.071110 O\n0.787593 0.459149 0.737301 O\n0.287286 0.534529 0.428890 O\n0.281083 0.539736 0.094507 O\n0.287593 0.540851 0.762699 O\n0.212407 0.959149 0.262699 O\n0.212714 0.965471 0.928890 O\n0.218917 0.960264 0.594507 O\n0.930478 0.750000 0.496480 O\n0.928275 0.750000 0.161277 O\n0.922336 0.750000 0.828351 O\n0.577664 0.750000 0.328351 O\n0.569522 0.750000 0.996480 O\n0.571725 0.750000 0.661277 O\n0.077664 0.250000 0.171649 O\n0.071725 0.250000 0.838723 O\n0.069522 0.250000 0.503520 O\n0.428275 0.250000 0.338723 O\n0.430478 0.250000 0.003520 O\n0.422336 0.250000 0.671649 O\n",
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"elements": [
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],
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"formula_full": "Ca4 La8 Fe12 O36",
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"updated_at": "2021-11-28T01:38:10.967000Z",
"spacegroup": 62
},
{
"id": "mp-1184312",
"created_at": "2022-09-04T14:39:32.046685Z",
"structure_string": "Eu3 Mg1\n1.0\n0.000000 4.205345 4.205345\n4.205345 0.000000 4.205345\n4.205345 4.205345 0.000000\nEu Mg\n3 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Mg\n",
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"elements": [
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],
"chemical_system": "Eu-Mg",
"density": 5.360849968092681,
"density_atomic": 0.026892123951005292,
"volume": 148.74243504483292,
"volume_molar": 22.393697020628515,
"formula_full": "Eu3 Mg1",
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"spacegroup": 225
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{
"id": "mp-850782",
"created_at": "2022-09-04T14:43:02.562125Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n5.273392 0.000000 0.000000\n-0.054259 5.857312 0.000000\n-2.535630 -0.419284 12.187025\nLi Mn B O\n4 6 6 18\ndirect\n0.912151 0.180577 0.481462 Li\n0.768249 0.461056 0.847104 Li\n0.236977 0.513355 0.151939 Li\n0.566770 0.866843 0.813221 Li\n0.043275 0.027211 0.715932 Mn\n0.297564 0.286806 0.952470 Mn\n0.384909 0.361349 0.382946 Mn\n0.619647 0.638229 0.606368 Mn\n0.700390 0.704365 0.052119 Mn\n0.949106 0.971167 0.276874 Mn\n0.472640 0.145594 0.603643 B\n0.856173 0.196483 0.058683 B\n0.813996 0.475618 0.273255 B\n0.191778 0.528950 0.734073 B\n0.139169 0.795877 0.936406 B\n0.518551 0.863850 0.394487 B\n0.342978 0.028474 0.345804 O\n0.748644 0.037498 0.117268 O\n0.211872 0.149353 0.595265 O\n0.119328 0.220688 0.075364 O\n0.592435 0.286574 0.537883 O\n0.975264 0.334364 0.344257 O\n0.694901 0.338704 0.985793 O\n0.085241 0.360632 0.791701 O\n0.548647 0.465362 0.261087 O\n0.456374 0.553439 0.745037 O\n0.925803 0.622016 0.207859 O\n0.296849 0.649036 0.006707 O\n0.019656 0.680021 0.675612 O\n0.411511 0.677541 0.441402 O\n0.874104 0.779487 0.917951 O\n0.776136 0.891746 0.405951 O\n0.259677 0.953103 0.878706 O\n0.631411 0.001841 0.675189 O\n",
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"formula_full": "Li4 Mn6 B6 O18",
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]
}