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{
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{
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"structure_string": "Li2 Mg12 Sc2 Si16 O48\n1.0\n14.034785 0.000000 0.000000\n0.000000 7.828603 0.000000\n0.000000 0.516346 7.926703\nLi Mg Sc Si O\n2 12 2 16 48\ndirect\n0.410130 0.429625 0.099951 Li\n0.589870 0.929625 0.099951 Li\n0.745305 0.291330 0.527709 Mg\n0.171691 0.055779 0.757370 Mg\n0.254695 0.791330 0.527709 Mg\n0.828309 0.555779 0.757370 Mg\n0.362344 0.192339 0.722755 Mg\n0.973984 0.182725 0.691838 Mg\n0.637656 0.692339 0.722755 Mg\n0.026016 0.682725 0.691838 Mg\n0.850111 0.094224 0.291105 Mg\n0.050920 0.335752 0.075632 Mg\n0.949080 0.835752 0.075632 Mg\n0.149889 0.594224 0.291105 Mg\n0.745871 0.688068 0.375589 Sc\n0.254129 0.188068 0.375589 Sc\n0.837024 0.467654 0.095073 Si\n0.238534 0.644609 0.930532 Si\n0.761466 0.144609 0.930532 Si\n0.162976 0.967654 0.095073 Si\n0.522885 0.441429 0.566663 Si\n0.939908 0.452951 0.412648 Si\n0.477115 0.941429 0.566663 Si\n0.060092 0.952951 0.412648 Si\n0.822464 0.908113 0.688441 Si\n0.597948 0.585034 0.139930 Si\n0.402052 0.085034 0.139930 Si\n0.177536 0.408113 0.688441 Si\n0.598665 0.132348 0.376361 Si\n0.401335 0.632348 0.376361 Si\n0.553789 0.261906 0.938608 Si\n0.446211 0.761906 0.938608 Si\n0.566713 0.390922 0.083538 O\n0.065989 0.402123 0.755190 O\n0.934011 0.902123 0.755190 O\n0.433287 0.890922 0.083538 O\n0.095007 0.798205 0.143364 O\n0.559024 0.689563 0.947894 O\n0.440976 0.189563 0.947894 O\n0.904993 0.298205 0.143364 O\n0.477056 0.586741 0.231133 O\n0.902207 0.604846 0.971495 O\n0.522944 0.086741 0.231133 O\n0.097793 0.104846 0.971495 O\n0.289185 0.652712 0.328094 O\n0.929804 0.564588 0.580539 O\n0.070196 0.064588 0.580539 O\n0.710815 0.152712 0.328094 O\n0.628727 0.752043 0.244301 O\n0.217242 0.608443 0.725726 O\n0.782758 0.108443 0.725726 O\n0.371273 0.252043 0.244301 O\n0.195977 0.389734 0.488501 O\n0.730115 0.529187 0.581079 O\n0.269885 0.029187 0.581079 O\n0.804023 0.889734 0.488501 O\n0.961080 0.942060 0.310897 O\n0.450466 0.140992 0.556629 O\n0.549534 0.640992 0.556629 O\n0.038920 0.442060 0.310897 O\n0.408849 0.830179 0.446109 O\n0.641078 0.119933 0.946102 O\n0.358922 0.619933 0.946102 O\n0.591151 0.330179 0.446109 O\n0.551964 0.369473 0.758272 O\n0.108020 0.767156 0.487784 O\n0.448036 0.869473 0.758272 O\n0.891980 0.267156 0.487784 O\n0.756236 0.774715 0.798236 O\n0.135371 0.064797 0.285068 O\n0.243764 0.274715 0.798236 O\n0.864629 0.564797 0.285068 O\n0.593474 0.966547 0.526933 O\n0.406526 0.466547 0.526933 O\n0.818239 0.007661 0.053083 O\n0.181761 0.507661 0.053083 O\n0.785022 0.352522 0.917323 O\n0.278745 0.030971 0.142506 O\n0.214978 0.852522 0.917323 O\n0.721255 0.530971 0.142506 O\n",
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{
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"structure_string": "Fe16 H16 O32\n1.0\n6.162333 0.000000 0.000000\n0.026251 9.224518 0.000000\n0.017600 1.171314 11.284021\nFe H O\n16 16 32\ndirect\n0.012106 0.312939 0.117928 Fe\n0.998845 0.176728 0.625885 Fe\n0.750929 0.826740 0.609309 Fe\n0.750345 0.690880 0.121837 Fe\n0.999610 0.703304 0.852196 Fe\n0.009566 0.841422 0.328839 Fe\n0.750413 0.212779 0.352761 Fe\n0.754365 0.321918 0.841976 Fe\n0.492414 0.311639 0.116374 Fe\n0.504160 0.196290 0.626842 Fe\n0.260689 0.827846 0.607233 Fe\n0.258682 0.705729 0.125447 Fe\n0.506626 0.707549 0.836718 Fe\n0.490832 0.849838 0.335331 Fe\n0.258033 0.216485 0.353532 Fe\n0.253456 0.357356 0.836253 Fe\n0.004770 0.023223 0.461457 H\n0.978576 0.462452 0.666868 H\n0.739960 0.524874 0.957420 H\n0.860944 0.925585 0.112274 H\n0.027252 0.631054 0.566111 H\n0.018219 0.540908 0.285419 H\n0.736657 0.073035 0.164422 H\n0.739377 0.448385 0.203233 H\n0.750815 0.027462 0.787758 H\n0.516992 0.491081 0.674866 H\n0.209587 0.946923 0.798155 H\n0.504671 0.017141 0.488901 H\n0.498132 0.551365 0.290560 H\n0.256747 0.057448 0.167428 H\n0.254864 0.505151 0.001754 H\n0.337906 0.101817 0.840548 H\n0.003980 0.342556 0.293679 O\n0.005799 0.057504 0.371813 O\n0.998087 0.367591 0.712958 O\n0.005152 0.294113 0.946975 O\n0.763020 0.835929 0.793048 O\n0.753212 0.547039 0.871132 O\n0.780921 0.890909 0.184558 O\n0.753390 0.802835 0.431687 O\n0.004354 0.676609 0.639218 O\n0.007263 0.972213 0.595129 O\n0.007906 0.644505 0.249362 O\n0.001760 0.738456 0.017739 O\n0.750398 0.180164 0.162250 O\n0.752296 0.464629 0.115341 O\n0.751060 0.134343 0.757665 O\n0.754683 0.241159 0.522754 O\n0.504705 0.347548 0.293526 O\n0.503240 0.060705 0.370799 O\n0.511557 0.387325 0.711636 O\n0.501422 0.290997 0.945697 O\n0.240282 0.843421 0.793396 O\n0.249557 0.562559 0.864095 O\n0.257702 0.888324 0.205832 O\n0.250548 0.790281 0.440280 O\n0.503045 0.690390 0.659787 O\n0.503816 0.982030 0.585408 O\n0.509236 0.652759 0.250524 O\n0.507013 0.730715 0.013464 O\n0.253659 0.170191 0.163735 O\n0.254393 0.469997 0.090575 O\n0.272973 0.149845 0.768158 O\n0.250994 0.239407 0.526190 O\n",
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{
"id": "mp-1178500",
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"structure_string": "Ce16 Hf16 O64\n1.0\n10.555535 0.000000 0.000000\n0.000000 10.555535 0.000000\n0.000000 0.000000 10.555535\nCe Hf O\n16 16 64\ndirect\n0.124010 0.375131 0.374123 Ce\n0.125877 0.875990 0.875131 Ce\n0.124869 0.625877 0.624010 Ce\n0.125183 0.125183 0.125183 Ce\n0.374817 0.874817 0.625183 Ce\n0.375131 0.374123 0.124010 Ce\n0.374123 0.124010 0.375131 Ce\n0.375990 0.624869 0.874123 Ce\n0.624010 0.124869 0.625877 Ce\n0.625877 0.624010 0.124869 Ce\n0.624869 0.874123 0.375990 Ce\n0.625183 0.374817 0.874817 Ce\n0.874817 0.625183 0.374817 Ce\n0.875131 0.125877 0.875990 Ce\n0.874123 0.375990 0.624869 Ce\n0.875990 0.875131 0.125877 Ce\n0.124454 0.623175 0.122254 Hf\n0.122254 0.124454 0.623175 Hf\n0.130684 0.869316 0.369316 Hf\n0.123175 0.377746 0.875546 Hf\n0.376825 0.622254 0.375546 Hf\n0.369316 0.130684 0.869316 Hf\n0.377746 0.875546 0.123175 Hf\n0.375546 0.376825 0.622254 Hf\n0.624454 0.876825 0.877746 Hf\n0.622254 0.375546 0.376825 Hf\n0.630684 0.630684 0.630684 Hf\n0.623175 0.122254 0.124454 Hf\n0.876825 0.877746 0.624454 Hf\n0.869316 0.369316 0.130684 Hf\n0.877746 0.624454 0.876825 Hf\n0.875546 0.123175 0.377746 Hf\n0.010929 0.746230 0.248622 O\n0.001397 0.996554 0.264083 O\n0.000960 0.741316 0.999986 O\n0.994906 0.005094 0.505094 O\n0.001224 0.001224 0.001224 O\n0.999986 0.000960 0.741316 O\n0.003446 0.764083 0.498603 O\n0.012378 0.251085 0.750060 O\n0.248915 0.249940 0.512378 O\n0.249940 0.512378 0.248915 O\n0.251850 0.248150 0.751850 O\n0.248622 0.010929 0.746230 O\n0.235917 0.998603 0.496554 O\n0.241316 0.500014 0.999040 O\n0.253770 0.748622 0.489071 O\n0.249900 0.749900 0.750100 O\n0.250100 0.250100 0.250100 O\n0.246230 0.251378 0.989071 O\n0.258684 0.499986 0.499040 O\n0.264083 0.001397 0.996554 O\n0.251378 0.989071 0.246230 O\n0.248150 0.751850 0.251850 O\n0.250060 0.487622 0.748915 O\n0.251085 0.750060 0.012378 O\n0.487622 0.748915 0.250060 O\n0.498776 0.998776 0.501224 O\n0.505094 0.994906 0.005094 O\n0.500014 0.999040 0.241316 O\n0.496554 0.235917 0.998603 O\n0.499040 0.258684 0.499986 O\n0.489071 0.253770 0.748622 O\n0.498603 0.003446 0.764083 O\n0.501397 0.503446 0.735917 O\n0.510929 0.753770 0.751378 O\n0.500960 0.758684 0.000014 O\n0.499986 0.499040 0.258684 O\n0.494906 0.494906 0.494906 O\n0.501224 0.498776 0.998776 O\n0.503446 0.735917 0.501397 O\n0.512378 0.248915 0.249940 O\n0.748915 0.250060 0.487622 O\n0.749940 0.987622 0.751085 O\n0.751850 0.251850 0.248150 O\n0.748622 0.489071 0.253770 O\n0.735917 0.501397 0.503446 O\n0.741316 0.999986 0.000960 O\n0.753770 0.751378 0.510929 O\n0.749900 0.750100 0.249900 O\n0.750100 0.249900 0.749900 O\n0.746230 0.248622 0.010929 O\n0.758684 0.000014 0.500960 O\n0.764083 0.498603 0.003446 O\n0.751378 0.510929 0.753770 O\n0.748150 0.748150 0.748150 O\n0.750060 0.012378 0.251085 O\n0.751085 0.749940 0.987622 O\n0.987622 0.751085 0.749940 O\n0.996554 0.264083 0.001397 O\n0.005094 0.505094 0.994906 O\n0.000014 0.500960 0.758684 O\n0.998776 0.501224 0.498776 O\n0.999040 0.241316 0.500014 O\n0.989071 0.246230 0.251378 O\n0.998603 0.496554 0.235917 O\n",
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{
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{
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.909504 0.000000 0.000000\n0.000000 5.177295 0.000000\n0.000000 2.190678 19.308724\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.870437 0.874131 Li\n0.500000 0.624150 0.620336 Li\n0.500000 0.378681 0.378115 Li\n0.500000 0.125150 0.127223 Li\n0.000000 0.380499 0.875331 Li\n0.000000 0.110739 0.618631 Li\n0.000000 0.884796 0.380182 Li\n0.000000 0.625234 0.125915 Li\n0.000000 0.499904 0.499486 Li\n0.000000 0.000192 0.000407 Mn\n0.500000 0.248913 0.748189 Mn\n0.000000 0.748321 0.748664 Co\n0.000000 0.251361 0.251441 Co\n0.500000 0.499971 0.000607 Co\n0.500000 0.000301 0.499316 Co\n0.500000 0.750787 0.251910 Co\n0.500000 0.163240 0.942132 O\n0.500000 0.907988 0.689224 O\n0.500000 0.736545 0.446019 O\n0.500000 0.437810 0.193705 O\n0.000000 0.658202 0.944463 O\n0.000000 0.426499 0.691769 O\n0.000000 0.171303 0.444516 O\n0.000000 0.935413 0.194005 O\n0.500000 0.582170 0.809571 O\n0.500000 0.265435 0.553300 O\n0.500000 0.069255 0.307659 O\n0.500000 0.836778 0.058560 O\n0.000000 0.070551 0.804368 O\n0.000000 0.829821 0.554206 O\n0.000000 0.566679 0.309702 O\n0.000000 0.342873 0.056917 O\n",
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{
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],
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{
"id": "mp-1095947",
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"structure_string": "Mg1 Tl1 Pd2\n1.0\n-5.105781 5.860546 8.286702\n5.105781 -5.860546 8.286702\n5.105781 5.860546 -8.286702\nMg Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n0.000000 0.243957 0.243957 Pd\n0.000000 0.756043 0.756043 Pd\n",
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{
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"created_at": "2022-09-04T14:39:58.778917Z",
"structure_string": "Li2 Mn8 P6 O24\n1.0\n8.776317 -4.329769 0.000000\n8.776317 4.329769 0.000000\n6.640238 0.000000 7.188732\nLi Mn P O\n2 8 6 24\ndirect\n0.042445 0.042445 0.042445 Li\n0.542445 0.542445 0.542445 Li\n0.034195 0.669552 0.255040 Mn\n0.669552 0.255040 0.034195 Mn\n0.211821 0.211821 0.211821 Mn\n0.534195 0.755040 0.169552 Mn\n0.255040 0.034195 0.669552 Mn\n0.169552 0.534195 0.755040 Mn\n0.755040 0.169552 0.534195 Mn\n0.711821 0.711821 0.711821 Mn\n0.609750 0.916576 0.323056 P\n0.109750 0.823056 0.416576 P\n0.823056 0.416576 0.109750 P\n0.916576 0.323056 0.609750 P\n0.323056 0.609750 0.916576 P\n0.416576 0.109750 0.823056 P\n0.221477 0.483002 0.110342 O\n0.025301 0.395877 0.040362 O\n0.395877 0.040362 0.025301 O\n0.483002 0.110342 0.221477 O\n0.110342 0.221477 0.483002 O\n0.807158 0.921790 0.205376 O\n0.040362 0.025301 0.395877 O\n0.721477 0.610342 0.983002 O\n0.110254 0.827397 0.256723 O\n0.610254 0.756723 0.327397 O\n0.540362 0.895877 0.525301 O\n0.307158 0.705376 0.421790 O\n0.827397 0.256723 0.110254 O\n0.705376 0.421790 0.307158 O\n0.895877 0.525301 0.540362 O\n0.205376 0.807158 0.921790 O\n0.327397 0.610254 0.756723 O\n0.756723 0.327397 0.610254 O\n0.525301 0.540362 0.895877 O\n0.421790 0.307158 0.705376 O\n0.921790 0.205376 0.807158 O\n0.256723 0.110254 0.827397 O\n0.610342 0.983002 0.721477 O\n0.983002 0.721477 0.610342 O\n",
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]
}