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{
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{
"id": "mp-1217517",
"created_at": "2022-09-04T14:43:22.146770Z",
"structure_string": "Te15 Mo2 Cl12 O2\n1.0\n7.537616 -2.043257 -3.161202\n-0.007259 8.133114 0.008704\n7.064092 2.040893 12.926007\nTe Mo Cl O\n15 2 12 2\ndirect\n0.888809 0.797062 0.696089 Te\n0.890064 0.299378 0.696360 Te\n0.109090 0.199863 0.311080 Te\n0.106767 0.698922 0.312050 Te\n0.629401 0.695493 0.840826 Te\n0.630745 0.198509 0.840992 Te\n0.387341 0.308090 0.150539 Te\n0.383942 0.808608 0.152085 Te\n0.735842 0.945010 0.957003 Te\n0.726757 0.442336 0.963403 Te\n0.266851 0.056056 0.038287 Te\n0.267280 0.558017 0.037556 Te\n0.067108 0.077556 0.756757 Te\n0.927508 0.422694 0.235529 Te\n0.927505 0.923114 0.233108 Te\n0.500028 0.543037 0.500371 Mo\n0.498756 0.043670 0.500026 Mo\n0.474615 0.951436 0.660222 Cl\n0.484194 0.454955 0.662365 Cl\n0.511221 0.043130 0.337507 Cl\n0.513185 0.543592 0.338100 Cl\n0.799718 0.170370 0.099841 Cl\n0.799453 0.680319 0.099927 Cl\n0.199969 0.818858 0.915133 Cl\n0.202272 0.324645 0.914719 Cl\n0.787107 0.073116 0.490549 Cl\n0.790160 0.573349 0.493956 Cl\n0.206318 0.923383 0.504353 Cl\n0.207782 0.425094 0.505975 Cl\n0.499343 0.755939 0.499431 O\n0.498968 0.258051 0.499762 O\n",
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"formula_full": "Te15 Mo2 Cl12 O2",
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{
"id": "mp-664137",
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"structure_string": "Ge6 S12\n1.0\n0.000000 5.826253 11.380945\n3.791097 0.000000 11.380945\n3.791097 5.826253 0.000000\nGe S\n6 12\ndirect\n0.511139 0.989999 0.997147 Ge\n0.248902 0.748207 0.747565 Ge\n0.492178 0.726826 0.259121 Ge\n0.514716 0.264802 0.732469 Ge\n0.987854 0.737595 0.761920 Ge\n0.512248 0.765784 0.728469 Ge\n0.282074 0.068458 0.299090 S\n0.352967 0.293764 0.072886 S\n0.956706 0.897364 0.966428 S\n0.190865 0.958699 0.892532 S\n0.849844 0.691209 0.976847 S\n0.489369 0.972790 0.693898 S\n0.266467 0.771377 0.404802 S\n0.553750 0.407524 0.774774 S\n0.721446 0.514225 0.908968 S\n0.857419 0.904350 0.525710 S\n0.339863 0.402217 0.534078 S\n0.723824 0.536932 0.403293 S\n",
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{
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"structure_string": "La12 Ru12 O44\n1.0\n9.543532 0.000000 0.000000\n0.000000 9.543532 0.000000\n0.000000 0.000000 9.543532\nLa Ru O\n12 12 44\ndirect\n0.636118 0.363882 0.636118 La\n0.363882 0.636118 0.636118 La\n0.636118 0.636118 0.363882 La\n0.363882 0.363882 0.363882 La\n0.863882 0.136118 0.863882 La\n0.136118 0.863882 0.863882 La\n0.863882 0.863882 0.136118 La\n0.136118 0.136118 0.136118 La\n0.250000 0.750000 0.250000 La\n0.750000 0.250000 0.250000 La\n0.250000 0.250000 0.750000 La\n0.750000 0.750000 0.750000 La\n0.661286 0.000000 0.500000 Ru\n0.000000 0.500000 0.661286 Ru\n0.500000 0.661286 0.000000 Ru\n0.000000 0.500000 0.338714 Ru\n0.500000 0.338714 0.000000 Ru\n0.338714 0.000000 0.500000 Ru\n0.838714 0.500000 0.000000 Ru\n0.500000 0.000000 0.838714 Ru\n0.000000 0.838714 0.500000 Ru\n0.500000 0.000000 0.161286 Ru\n0.000000 0.161286 0.500000 Ru\n0.161286 0.500000 0.000000 Ru\n0.830302 0.502735 0.212110 O\n0.830302 0.497265 0.787890 O\n0.169698 0.502735 0.787890 O\n0.497265 0.787890 0.830302 O\n0.787890 0.169698 0.502735 O\n0.787890 0.830302 0.497265 O\n0.502735 0.212110 0.830302 O\n0.212110 0.830302 0.502735 O\n0.502735 0.787890 0.169698 O\n0.497265 0.212110 0.169698 O\n0.212110 0.169698 0.497265 O\n0.169698 0.497265 0.212110 O\n0.669698 0.997265 0.287890 O\n0.669698 0.002735 0.712110 O\n0.330302 0.997265 0.712110 O\n0.002735 0.712110 0.669698 O\n0.394991 0.605009 0.394991 O\n0.712110 0.330302 0.997265 O\n0.997265 0.287890 0.669698 O\n0.287890 0.669698 0.997265 O\n0.997265 0.712110 0.330302 O\n0.002735 0.287890 0.330302 O\n0.287890 0.330302 0.002735 O\n0.330302 0.002735 0.287890 O\n0.373607 0.000000 0.000000 O\n0.000000 0.373607 0.000000 O\n0.000000 0.000000 0.373607 O\n0.000000 0.626393 0.000000 O\n0.000000 0.000000 0.626393 O\n0.626393 0.000000 0.000000 O\n0.126393 0.500000 0.500000 O\n0.500000 0.126393 0.500000 O\n0.500000 0.500000 0.126393 O\n0.500000 0.873607 0.500000 O\n0.500000 0.500000 0.873607 O\n0.873607 0.500000 0.500000 O\n0.894991 0.894991 0.894991 O\n0.105009 0.105009 0.894991 O\n0.894991 0.105009 0.105009 O\n0.105009 0.894991 0.105009 O\n0.605009 0.605009 0.605009 O\n0.394991 0.394991 0.605009 O\n0.605009 0.394991 0.394991 O\n0.712110 0.669698 0.002735 O\n",
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{
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"structure_string": "Ce4 Ge1 S3\n1.0\n-2.891056 2.891056 5.779323\n2.891056 -2.891056 5.779323\n2.891056 2.891056 -5.779323\nCe Ge S\n4 1 3\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.254856 0.254856 0.000000 Ce\n0.745144 0.745144 0.000000 Ce\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.000000 S\n0.750000 0.250000 0.500000 S\n0.250000 0.750000 0.500000 S\n",
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"structure_string": "Li2 Zr4 P6 O24\n1.0\n4.516656 7.760797 0.000000\n-4.516656 7.760797 0.000000\n0.000000 5.173701 7.600904\nLi Zr P O\n2 4 6 24\ndirect\n0.371886 0.143663 0.279191 Li\n0.856337 0.628114 0.720809 Li\n0.856783 0.356297 0.179295 Zr\n0.643703 0.143217 0.820705 Zr\n0.355252 0.855857 0.681565 Zr\n0.144143 0.644748 0.318435 Zr\n0.539545 0.751690 0.998065 P\n0.248310 0.460455 0.001935 P\n0.962500 0.037500 0.000000 P\n0.037188 0.962812 0.500000 P\n0.747502 0.539389 0.501653 P\n0.460611 0.252498 0.498347 P\n0.493917 0.212042 0.664386 O\n0.875408 0.993175 0.666140 O\n0.719087 0.588035 0.002829 O\n0.714287 0.374391 0.665645 O\n0.377628 0.713983 0.160985 O\n0.561704 0.917762 0.982820 O\n0.082238 0.438296 0.017180 O\n0.411965 0.280913 0.997171 O\n0.789577 0.063242 0.980863 O\n0.006825 0.124592 0.333860 O\n0.055008 0.785303 0.492624 O\n0.787958 0.506083 0.335614 O\n0.216656 0.484210 0.172757 O\n0.936758 0.210423 0.019137 O\n0.997013 0.871939 0.163676 O\n0.214697 0.944992 0.507376 O\n0.580914 0.710962 0.521431 O\n0.908303 0.568216 0.496530 O\n0.431784 0.091697 0.503470 O\n0.625609 0.285713 0.334355 O\n0.286017 0.622372 0.839015 O\n0.289038 0.419086 0.478569 O\n0.128061 0.002987 0.836324 O\n0.515790 0.783344 0.827243 O\n",
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{
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{
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"structure_string": "Ca12 Cd8\n1.0\n8.903995 0.000000 0.000000\n0.000000 8.903995 0.000000\n0.000000 0.000000 7.984716\nCa Cd\n12 8\ndirect\n0.146081 0.146081 0.000000 Ca\n0.646081 0.353919 0.500000 Ca\n0.353919 0.646081 0.500000 Ca\n0.853919 0.853919 0.000000 Ca\n0.197132 0.197132 0.500000 Ca\n0.697132 0.302868 0.000000 Ca\n0.302868 0.697132 0.000000 Ca\n0.802868 0.802868 0.500000 Ca\n0.500000 0.000000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.500000 0.750000 Ca\n0.000000 0.500000 0.250000 Ca\n0.375312 0.375312 0.802035 Cd\n0.875312 0.124688 0.302035 Cd\n0.124688 0.875312 0.302035 Cd\n0.624688 0.624688 0.802035 Cd\n0.375312 0.375312 0.197965 Cd\n0.875312 0.124688 0.697965 Cd\n0.124688 0.875312 0.697965 Cd\n0.624688 0.624688 0.197965 Cd\n",
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},
{
"id": "mp-8116",
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"structure_string": "K2 Mo6 S6\n1.0\n4.500523 -7.795134 0.000000\n4.500523 7.795134 0.000000\n0.000000 0.000000 4.455314\nK Mo S\n2 6 6\ndirect\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.966378 0.814302 0.250000 Mo\n0.847924 0.033622 0.250000 Mo\n0.152076 0.966378 0.750000 Mo\n0.033622 0.185698 0.750000 Mo\n0.185698 0.152076 0.250000 Mo\n0.814302 0.847924 0.750000 Mo\n0.935469 0.652069 0.750000 S\n0.064531 0.347931 0.250000 S\n0.283400 0.935469 0.250000 S\n0.652069 0.716600 0.250000 S\n0.347931 0.283400 0.750000 S\n0.716600 0.064531 0.750000 S\n",
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{
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"structure_string": "Sm2 Mg1 Mo2 I8 O30\n1.0\n-6.518282 0.041606 2.915552\n-0.039866 0.013100 -7.168322\n0.106383 -14.547960 0.028884\nSm Mg Mo I O\n2 1 2 8 30\ndirect\n0.098024 0.441303 0.430448 Sm\n0.910555 0.575685 0.954031 Sm\n0.068093 0.100331 0.639202 Mg\n0.587411 0.777388 0.271642 Mo\n0.423092 0.218706 0.776109 Mo\n0.502334 0.748549 0.035670 I\n0.510154 0.262316 0.527769 I\n0.750988 0.291269 0.192654 I\n0.234311 0.684766 0.695000 I\n0.163139 0.954206 0.312191 I\n0.837005 0.055240 0.824847 I\n0.744910 0.855801 0.516331 I\n0.233731 0.137750 0.051058 I\n0.391916 0.693000 0.152080 O\n0.605565 0.295753 0.649227 O\n0.264444 0.627112 0.970010 O\n0.746477 0.400485 0.468219 O\n0.590782 0.538972 0.027866 O\n0.406688 0.462189 0.527949 O\n0.753185 0.031209 0.181117 O\n0.242616 0.953162 0.677288 O\n0.913029 0.405770 0.094930 O\n0.075903 0.559713 0.596545 O\n0.938729 0.380053 0.286268 O\n0.053801 0.605896 0.788119 O\n0.429954 0.987135 0.290144 O\n0.568419 0.014920 0.792839 O\n0.238630 0.191807 0.376600 O\n0.765835 0.814888 0.882454 O\n0.108179 0.775524 0.409626 O\n0.887594 0.232160 0.920287 O\n0.520875 0.913556 0.522679 O\n0.466211 0.088272 0.043869 O\n0.797333 0.863107 0.644821 O\n0.233765 0.183679 0.173721 O\n0.960912 0.120862 0.516991 O\n0.035955 0.876362 0.040601 O\n0.768776 0.925250 0.364303 O\n0.237512 0.085718 0.859853 O\n0.391866 0.601583 0.339198 O\n0.614605 0.411141 0.839016 O\n0.727360 0.642314 0.229486 O\n0.254892 0.326211 0.717184 O\n",
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}