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{
"id": "mp-1113029",
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{
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{
"id": "mp-775806",
"created_at": "2022-09-04T14:39:46.040714Z",
"structure_string": "Li24 Sb8 S24\n1.0\n10.518505 0.000000 0.000000\n0.000000 8.516883 0.000000\n0.000000 0.358557 13.726992\nLi Sb S\n24 8 24\ndirect\n0.041786 0.929420 0.895808 Li\n0.458214 0.929420 0.395808 Li\n0.885166 0.828289 0.702817 Li\n0.614834 0.828289 0.202817 Li\n0.414147 0.842798 0.918959 Li\n0.085853 0.842798 0.418959 Li\n0.592739 0.697299 0.674893 Li\n0.907261 0.697299 0.174893 Li\n0.106535 0.627326 0.961589 Li\n0.393465 0.627326 0.461589 Li\n0.980017 0.571767 0.605136 Li\n0.519983 0.571767 0.105136 Li\n0.480017 0.428233 0.894864 Li\n0.019983 0.428233 0.394864 Li\n0.606535 0.372674 0.538411 Li\n0.893465 0.372674 0.038411 Li\n0.092739 0.302701 0.825107 Li\n0.407261 0.302701 0.325107 Li\n0.914147 0.157202 0.581041 Li\n0.585853 0.157202 0.081041 Li\n0.385166 0.171711 0.797183 Li\n0.114834 0.171711 0.297183 Li\n0.541786 0.070580 0.604192 Li\n0.958214 0.070580 0.104192 Li\n0.746250 0.770899 0.942383 Sb\n0.753750 0.770899 0.442383 Sb\n0.248697 0.749746 0.693286 Sb\n0.251303 0.749746 0.193286 Sb\n0.748697 0.250254 0.806714 Sb\n0.751303 0.250254 0.306714 Sb\n0.246250 0.229101 0.557617 Sb\n0.253750 0.229101 0.057617 Sb\n0.246447 0.953583 0.817454 S\n0.253553 0.953583 0.317454 S\n0.064916 0.834236 0.594419 S\n0.435084 0.834236 0.094419 S\n0.424608 0.827202 0.580854 S\n0.075392 0.827202 0.080854 S\n0.932575 0.681039 0.849159 S\n0.568656 0.669669 0.846652 S\n0.567425 0.681039 0.349159 S\n0.931344 0.669669 0.346652 S\n0.755215 0.574939 0.579128 S\n0.744785 0.574939 0.079128 S\n0.255215 0.425061 0.920872 S\n0.244785 0.425061 0.420872 S\n0.068656 0.330331 0.653348 S\n0.432575 0.318961 0.650841 S\n0.431344 0.330331 0.153348 S\n0.067425 0.318961 0.150841 S\n0.924608 0.172798 0.919146 S\n0.575392 0.172798 0.419146 S\n0.564916 0.165764 0.905581 S\n0.935084 0.165764 0.405581 S\n0.746447 0.046417 0.682546 S\n0.753553 0.046417 0.182546 S\n",
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"formula_full": "Li24 Sb8 S24",
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{
"id": "mp-1560",
"created_at": "2022-09-04T14:40:00.129356Z",
"structure_string": "La1 Te1\n1.0\n0.000000 3.243755 3.243755\n3.243755 0.000000 3.243755\n3.243755 3.243755 0.000000\nLa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Te\n",
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"formula_full": "La1 Te1",
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{
"id": "mp-1193278",
"created_at": "2022-09-04T14:39:45.939350Z",
"structure_string": "La6 Ni2 W2 S6 O12\n1.0\n4.735338 -8.201846 0.000000\n4.735338 8.201846 0.000000\n0.000000 0.000000 5.553179\nLa Ni W S O\n6 2 2 6 12\ndirect\n0.405341 0.315119 0.250000 La\n0.684881 0.090222 0.250000 La\n0.909778 0.594659 0.250000 La\n0.594659 0.684881 0.750000 La\n0.315119 0.909778 0.750000 La\n0.090222 0.405341 0.750000 La\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.750000 W\n0.333333 0.666667 0.250000 W\n0.952720 0.774988 0.750000 S\n0.225012 0.177732 0.750000 S\n0.822268 0.047280 0.750000 S\n0.047280 0.225012 0.250000 S\n0.774988 0.822268 0.250000 S\n0.177732 0.952720 0.250000 S\n0.635423 0.474720 0.522098 O\n0.525280 0.160703 0.522098 O\n0.839297 0.364577 0.522098 O\n0.364577 0.525280 0.022098 O\n0.474720 0.839297 0.022098 O\n0.160703 0.635423 0.022098 O\n0.364577 0.525280 0.477902 O\n0.474720 0.839297 0.477902 O\n0.160703 0.635423 0.477902 O\n0.635423 0.474720 0.977902 O\n0.525280 0.160703 0.977902 O\n0.839297 0.364577 0.977902 O\n",
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"formula_full": "La6 Ni2 W2 S6 O12",
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{
"id": "mp-1209699",
"created_at": "2022-09-04T14:39:45.939655Z",
"structure_string": "Rb4 U12 F40\n1.0\n4.316221 -7.475913 0.000000\n4.316221 7.475913 0.000000\n0.000000 0.000000 14.083153\nRb U F\n4 12 40\ndirect\n0.666667 0.333333 0.734492 Rb\n0.333333 0.666667 0.234492 Rb\n0.000000 0.000000 0.978126 Rb\n0.000000 0.000000 0.478126 Rb\n0.179078 0.358155 0.722148 U\n0.179078 0.820922 0.722148 U\n0.820922 0.641845 0.222148 U\n0.641845 0.820922 0.722148 U\n0.820922 0.179078 0.222148 U\n0.358155 0.179078 0.222148 U\n0.507922 0.015844 0.987171 U\n0.507922 0.492078 0.987171 U\n0.492078 0.984156 0.487171 U\n0.984156 0.492078 0.987171 U\n0.492078 0.507922 0.487171 U\n0.015844 0.507922 0.487171 U\n0.174891 0.349783 0.545016 F\n0.174891 0.825109 0.545016 F\n0.825109 0.650217 0.045016 F\n0.650217 0.825109 0.545016 F\n0.825109 0.174891 0.045016 F\n0.349783 0.174891 0.045016 F\n0.666667 0.333333 0.932791 F\n0.333333 0.666667 0.432791 F\n0.666667 0.333333 0.296805 F\n0.333333 0.666667 0.796805 F\n0.777406 0.554813 0.521469 F\n0.777406 0.222594 0.521469 F\n0.222594 0.445187 0.021469 F\n0.445187 0.222594 0.521469 F\n0.222594 0.777406 0.021469 F\n0.554813 0.777406 0.021469 F\n0.890951 0.781903 0.693529 F\n0.890951 0.109049 0.693529 F\n0.109049 0.218097 0.193529 F\n0.218097 0.109049 0.693529 F\n0.109049 0.890951 0.193529 F\n0.781903 0.890951 0.193529 F\n0.661379 0.663855 0.854045 F\n0.002476 0.338621 0.854045 F\n0.338621 0.336145 0.354045 F\n0.002476 0.663855 0.854045 F\n0.336145 0.997524 0.854045 F\n0.997524 0.661379 0.354045 F\n0.336145 0.338621 0.854045 F\n0.997524 0.336145 0.354045 F\n0.663855 0.002476 0.354045 F\n0.663855 0.661379 0.354045 F\n0.661379 0.997524 0.854045 F\n0.338621 0.002476 0.354045 F\n0.492759 0.985519 0.663472 F\n0.492759 0.507241 0.663472 F\n0.507241 0.014481 0.163472 F\n0.014481 0.507241 0.663472 F\n0.507241 0.492759 0.163472 F\n0.985519 0.492759 0.163472 F\n",
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{
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"structure_string": "Zn2 C16 N12\n1.0\n5.392622 0.000000 0.000000\n0.000000 7.491855 0.000000\n0.000000 0.000000 10.651656\nZn C N\n2 16 12\ndirect\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.393032 0.000000 0.748217 C\n0.393032 0.500000 0.751783 C\n0.606968 0.000000 0.251783 C\n0.606968 0.500000 0.248217 C\n0.585595 0.000000 0.658932 C\n0.585595 0.500000 0.841068 C\n0.414405 0.000000 0.341068 C\n0.414405 0.500000 0.158932 C\n0.691430 0.159460 0.615709 C\n0.691430 0.340540 0.884291 C\n0.308570 0.159460 0.384291 C\n0.691430 0.659460 0.884291 C\n0.308570 0.840540 0.384291 C\n0.308570 0.659460 0.115709 C\n0.691430 0.840540 0.615709 C\n0.308570 0.340540 0.115709 C\n0.783171 0.289981 0.577351 N\n0.783171 0.210019 0.922649 N\n0.216829 0.289981 0.422649 N\n0.783171 0.789981 0.922649 N\n0.216829 0.710019 0.422649 N\n0.216829 0.789981 0.077351 N\n0.783171 0.710019 0.577351 N\n0.216829 0.210019 0.077351 N\n0.234565 0.000000 0.823434 N\n0.234565 0.500000 0.676566 N\n0.765435 0.000000 0.176566 N\n0.765435 0.500000 0.323434 N\n",
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{
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"structure_string": "Al8 Ni4 O16\n1.0\n0.001041 0.009839 5.786594\n8.287771 -4.713917 2.887194\n1.670127 4.745983 2.903360\nAl Ni O\n8 4 16\ndirect\n0.498342 0.249649 0.250558 Al\n0.500856 0.749679 0.751212 Al\n0.499319 0.500137 0.999974 Al\n0.500844 0.000065 0.499272 Al\n0.499274 0.250422 0.750631 Al\n0.502085 0.750042 0.249525 Al\n0.999232 0.249975 0.749283 Al\n0.999984 0.750250 0.250391 Al\n0.879333 0.935323 0.807622 Ni\n0.127075 0.064381 0.183200 Ni\n0.872609 0.435259 0.310903 Ni\n0.126353 0.564566 0.683982 Ni\n0.731894 0.144925 0.883863 O\n0.738859 0.644905 0.383859 O\n0.263913 0.354958 0.619930 O\n0.261761 0.854948 0.121870 O\n0.737077 0.368454 0.661574 O\n0.735797 0.868408 0.159833 O\n0.263919 0.133420 0.835182 O\n0.267003 0.633086 0.335600 O\n0.733654 0.366463 0.100535 O\n0.731111 0.868936 0.606760 O\n0.289885 0.368564 0.107295 O\n0.297461 0.866572 0.603898 O\n0.708298 0.131879 0.397600 O\n0.708943 0.631795 0.898309 O\n0.261765 0.131398 0.398936 O\n0.263356 0.631540 0.898403 O\n",
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{
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"created_at": "2022-09-04T14:39:45.979833Z",
"structure_string": "Mn10 Si6\n1.0\n3.447277 -5.970859 0.000000\n3.447277 5.970859 0.000000\n0.000000 0.000000 4.788961\nMn Si\n10 6\ndirect\n0.000000 0.755103 0.750000 Mn\n0.000000 0.244897 0.250000 Mn\n0.755103 0.755103 0.250000 Mn\n0.755103 0.000000 0.750000 Mn\n0.244897 0.244897 0.750000 Mn\n0.244897 0.000000 0.250000 Mn\n0.333333 0.666667 0.500000 Mn\n0.666667 0.333333 0.000000 Mn\n0.666667 0.333333 0.500000 Mn\n0.333333 0.666667 0.000000 Mn\n0.397703 0.000000 0.750000 Si\n0.397703 0.397703 0.250000 Si\n0.000000 0.602297 0.250000 Si\n0.000000 0.397703 0.750000 Si\n0.602297 0.602297 0.750000 Si\n0.602297 0.000000 0.250000 Si\n",
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{
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{
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"structure_string": "Sr2 Sm2 Tl1 Ni2 O9\n1.0\n0.000000 2.699477 14.888412\n2.683244 0.000000 14.888412\n2.683244 2.699477 0.000000\nSr Sm Tl Ni O\n2 2 1 2 9\ndirect\n0.410228 0.420293 0.579707 Sr\n0.579707 0.589772 0.410228 Sr\n0.296669 0.298131 0.701869 Sm\n0.701869 0.703331 0.296669 Sm\n0.961930 0.038070 0.961930 Tl\n0.850666 0.853471 0.146529 Ni\n0.146529 0.149334 0.850666 Ni\n0.848377 0.850907 0.648987 O\n0.348271 0.351013 0.149093 O\n0.149093 0.151623 0.348271 O\n0.648987 0.651729 0.848377 O\n0.929599 0.928065 0.071935 O\n0.071935 0.070401 0.929599 O\n0.779496 0.780329 0.219671 O\n0.219671 0.220504 0.779496 O\n0.521973 0.478027 0.521973 O\n",
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{
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"structure_string": "Li6 Mn6 F18\n1.0\n-5.936964 0.000000 0.000000\n2.968015 5.143293 0.000000\n0.018046 -0.003586 -11.676956\nLi Mn F\n6 6 18\ndirect\n0.329609 0.001003 0.746714 Li\n0.003982 0.325161 0.746074 Li\n0.334276 0.329279 0.244920 Li\n0.678454 0.000317 0.245674 Li\n0.678610 0.674886 0.746177 Li\n0.008089 0.672707 0.244828 Li\n0.339455 0.668151 0.027875 Mn\n0.340462 0.667621 0.529163 Mn\n0.007317 0.000664 0.494057 Mn\n0.672163 0.334748 0.963100 Mn\n0.673748 0.334400 0.462189 Mn\n0.005198 0.001191 0.999800 Mn\n0.051125 0.690719 0.417728 F\n0.963142 0.645083 0.073049 F\n0.314048 0.958281 0.919524 F\n0.360081 0.043955 0.571946 F\n0.048255 0.352635 0.919406 F\n0.964590 0.311840 0.571644 F\n0.338993 0.667510 0.712082 F\n0.340358 0.667298 0.211202 F\n0.006736 0.000438 0.242334 F\n0.004159 0.999887 0.744796 F\n0.653133 0.957512 0.418071 F\n0.317822 0.354733 0.417766 F\n0.693028 0.044461 0.073139 F\n0.361974 0.314352 0.073022 F\n0.653957 0.692868 0.919457 F\n0.696484 0.647131 0.571795 F\n0.670458 0.333453 0.780215 F\n0.674095 0.334091 0.279151 F\n",
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"volume": 356.56221986689513,
"volume_molar": 7.157559592455036,
"formula_full": "Li6 Mn6 F18",
"formula_reduced": "LiMnF3",
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]
}