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{
"id": "mp-1247749",
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"structure_string": "Cs4 Sn4 Br12\n1.0\n8.224792 0.000000 0.000000\n0.000000 8.296014 0.000000\n0.000000 0.000000 11.843316\nCs Sn Br\n4 4 12\ndirect\n0.507868 0.467198 0.250000 Cs\n0.007868 0.032802 0.750000 Cs\n0.992132 0.967198 0.250000 Cs\n0.492132 0.532802 0.750000 Cs\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.548202 0.993468 0.750000 Br\n0.048202 0.506532 0.250000 Br\n0.794315 0.206008 0.025425 Br\n0.205685 0.793992 0.974575 Br\n0.294315 0.293992 0.974575 Br\n0.705685 0.706008 0.025425 Br\n0.294315 0.293992 0.525425 Br\n0.705685 0.706008 0.474575 Br\n0.205685 0.793992 0.525425 Br\n0.794315 0.206008 0.474575 Br\n0.951798 0.493468 0.750000 Br\n0.451798 0.006532 0.250000 Br\n",
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{
"id": "mp-1193634",
"created_at": "2022-09-04T14:41:36.339500Z",
"structure_string": "Cs4 Sn4 P4 S16\n1.0\n6.325343 0.000000 0.000000\n0.000000 6.921795 0.000000\n0.000000 0.000000 18.457505\nCs Sn P S\n4 4 4 16\ndirect\n0.427428 0.250000 0.700930 Cs\n0.572572 0.750000 0.299070 Cs\n0.927428 0.750000 0.799070 Cs\n0.072572 0.250000 0.200930 Cs\n0.715699 0.250000 0.978578 Sn\n0.284301 0.750000 0.021422 Sn\n0.215699 0.750000 0.521422 Sn\n0.784301 0.250000 0.478578 Sn\n0.719205 0.750000 0.594753 P\n0.280795 0.250000 0.405247 P\n0.780795 0.750000 0.094753 P\n0.219205 0.250000 0.905247 P\n0.648807 0.750000 0.485316 S\n0.351193 0.250000 0.514684 S\n0.893639 0.509328 0.618092 S\n0.106361 0.009328 0.381908 S\n0.106361 0.490672 0.381908 S\n0.893639 0.990672 0.618092 S\n0.851193 0.750000 0.985316 S\n0.148807 0.250000 0.014684 S\n0.436709 0.750000 0.650639 S\n0.563291 0.250000 0.349361 S\n0.063291 0.750000 0.150639 S\n0.936709 0.250000 0.849361 S\n0.606361 0.509328 0.118092 S\n0.393639 0.009328 0.881908 S\n0.393639 0.490672 0.881908 S\n0.606361 0.990672 0.118092 S\n",
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"formula_full": "Cs4 Sn4 P4 S16",
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"formula_anonymous": "ABCD4",
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{
"id": "mp-1233663",
"created_at": "2022-09-04T14:46:04.430419Z",
"structure_string": "Mg1 P4 Br12 O4\n1.0\n7.537801 0.495277 0.617068\n0.730123 11.095926 0.148259\n1.060455 0.114875 9.791623\nMg P Br O\n1 4 12 4\ndirect\n0.861515 0.416449 0.967436 Mg\n0.438004 0.261277 0.278128 P\n0.620323 0.684575 0.729887 P\n0.807581 0.188389 0.771678 P\n0.104980 0.813705 0.240914 P\n0.768326 0.625863 0.525759 Br\n0.889867 0.968800 0.271951 Br\n0.268901 0.834000 0.399785 Br\n0.647801 0.083541 0.929204 Br\n0.266139 0.374161 0.461466 Br\n0.841492 0.654233 0.863742 Br\n0.436006 0.551821 0.812744 Br\n0.694372 0.189067 0.585490 Br\n0.078072 0.086231 0.727795 Br\n0.180282 0.373375 0.979424 Br\n0.282576 0.853607 0.044331 Br\n0.621775 0.451536 0.177178 Br\n0.539968 0.813219 0.737871 O\n0.810666 0.313541 0.823093 O\n0.573741 0.174033 0.335652 O\n0.038448 0.694825 0.242867 O\n",
"nsites": 21,
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"formula_full": "Mg1 P4 Br12 O4",
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"spacegroup": 1
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{
"id": "mp-758599",
"created_at": "2022-09-04T14:40:26.859793Z",
"structure_string": "Sr5 Re12 O36\n1.0\n8.043670 0.000000 0.000000\n-2.716819 7.643220 0.000000\n-0.011769 -0.013395 13.145248\nSr Re O\n5 12 36\ndirect\n0.183621 0.187752 0.184533 Sr\n0.001335 0.636866 0.000164 Sr\n0.498757 0.860780 0.499779 Sr\n0.854430 0.498162 0.500283 Sr\n0.187128 0.187596 0.815528 Sr\n0.179869 0.816446 0.316359 Re\n0.329922 0.688703 0.181359 Re\n0.567274 0.425238 0.068809 Re\n0.067621 0.934516 0.569152 Re\n0.390588 0.886050 0.755030 Re\n0.114059 0.616356 0.746556 Re\n0.616948 0.112811 0.251877 Re\n0.887632 0.388699 0.250525 Re\n0.434651 0.569053 0.931156 Re\n0.937039 0.066293 0.431533 Re\n0.817242 0.181806 0.681622 Re\n0.684076 0.321184 0.816888 Re\n0.166477 0.834755 0.164031 O\n0.034299 0.968132 0.323171 O\n0.325365 0.671541 0.032611 O\n0.525616 0.888870 0.181929 O\n0.114268 0.477162 0.176710 O\n0.666689 0.657674 0.999472 O\n0.328653 0.328388 0.998673 O\n0.460135 0.525936 0.170445 O\n0.170668 0.818861 0.467618 O\n0.337311 0.675972 0.333718 O\n0.710795 0.004718 0.355081 O\n0.996620 0.287677 0.352163 O\n0.788261 0.491392 0.146198 O\n0.503693 0.212212 0.148526 O\n0.972247 0.613107 0.322254 O\n0.829451 0.829772 0.499768 O\n0.164363 0.161877 0.499992 O\n0.612259 0.974902 0.678642 O\n0.838946 0.168702 0.170953 O\n0.384307 0.026348 0.319902 O\n0.673107 0.332219 0.336138 O\n0.333258 0.674173 0.665488 O\n0.028478 0.386175 0.678834 O\n0.163636 0.832898 0.835882 O\n0.207651 0.504542 0.856215 O\n0.489667 0.782860 0.853422 O\n0.003424 0.709254 0.644592 O\n0.285578 0.991717 0.649840 O\n0.675691 0.339168 0.665228 O\n0.524668 0.459223 0.827390 O\n0.817912 0.170224 0.530586 O\n0.888891 0.528573 0.821623 O\n0.472695 0.116413 0.820536 O\n0.677200 0.334645 0.966004 O\n0.968257 0.034877 0.674493 O\n0.840118 0.173159 0.830722 O\n",
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"elements": [
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],
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"volume": 808.1637925674986,
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"formula_full": "Sr5 Re12 O36",
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},
{
"id": "mp-1093761",
"created_at": "2022-09-04T14:48:12.502525Z",
"structure_string": "Sc2 Os1 Ru1\n1.0\n-4.718211 5.506939 7.775996\n4.718211 -5.506939 7.775996\n4.718211 5.506939 -7.775996\nSc Os Ru\n2 1 1\ndirect\n0.000000 0.248369 0.248369 Sc\n0.000000 0.751631 0.751631 Sc\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "Sc2 Os1 Ru1",
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{
"id": "mp-1213283",
"created_at": "2022-09-04T14:45:59.394837Z",
"structure_string": "Er7 Co6 Sn23\n1.0\n4.842036 -8.386653 0.000000\n4.842036 8.386653 0.000000\n0.000000 0.000000 9.951594\nEr Co Sn\n7 6 23\ndirect\n0.479094 0.520906 0.305863 Er\n0.520906 0.479094 0.694137 Er\n0.479094 0.958189 0.305863 Er\n0.520906 0.041811 0.694137 Er\n0.041811 0.520906 0.305863 Er\n0.958189 0.479094 0.694137 Er\n0.000000 0.000000 0.000000 Er\n0.832358 0.167642 0.197729 Co\n0.167642 0.832358 0.802271 Co\n0.832358 0.664717 0.197729 Co\n0.167642 0.335283 0.802271 Co\n0.335283 0.167642 0.197729 Co\n0.664717 0.832358 0.802271 Co\n0.118304 0.881696 0.274888 Sn\n0.881696 0.118304 0.725112 Sn\n0.118304 0.236608 0.274888 Sn\n0.881696 0.763392 0.725112 Sn\n0.763392 0.881696 0.274888 Sn\n0.236608 0.118304 0.725112 Sn\n0.780846 0.219154 0.452634 Sn\n0.219154 0.780846 0.547366 Sn\n0.780846 0.561692 0.452634 Sn\n0.219154 0.438308 0.547366 Sn\n0.438308 0.219154 0.452634 Sn\n0.561692 0.780846 0.547366 Sn\n0.345850 0.000000 0.000000 Sn\n0.654150 0.000000 0.000000 Sn\n0.000000 0.345850 0.000000 Sn\n0.000000 0.654150 0.000000 Sn\n0.654150 0.654150 0.000000 Sn\n0.345850 0.345850 0.000000 Sn\n0.333333 0.666667 0.118369 Sn\n0.666667 0.333333 0.881631 Sn\n0.333333 0.666667 0.817774 Sn\n0.666667 0.333333 0.182226 Sn\n0.000000 0.000000 0.500000 Sn\n",
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{
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"structure_string": "Sc2 Tc1 Ru1\n1.0\n-4.539932 5.621265 7.918590\n4.539932 -5.621265 7.918590\n4.539932 5.621265 -7.918590\nSc Tc Ru\n2 1 1\ndirect\n0.000000 0.258485 0.258485 Sc\n0.000000 0.741515 0.741515 Sc\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ru\n",
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{
"id": "mp-1204204",
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"structure_string": "Nd4 P8 H8 O32\n1.0\n6.765901 0.000000 0.000000\n0.000000 7.121659 0.000000\n0.000000 0.000000 16.776014\nNd P H O\n4 8 8 32\ndirect\n0.861164 0.425620 0.228681 Nd\n0.138836 0.925620 0.271319 Nd\n0.361164 0.074380 0.771319 Nd\n0.638836 0.574380 0.728681 Nd\n0.112429 0.718882 0.077693 P\n0.887571 0.218882 0.422307 P\n0.612429 0.781118 0.922307 P\n0.387571 0.281118 0.577693 P\n0.827568 0.089615 0.739331 P\n0.172432 0.589615 0.760669 P\n0.327568 0.410385 0.260669 P\n0.672432 0.910385 0.239331 P\n0.287756 0.614004 0.076810 H\n0.712244 0.114004 0.423190 H\n0.787756 0.885996 0.923190 H\n0.212244 0.385996 0.576810 H\n0.879723 0.125177 0.659390 H\n0.120277 0.625177 0.840610 H\n0.379723 0.374823 0.340610 H\n0.620277 0.874823 0.159390 H\n0.943026 0.591508 0.107142 O\n0.056974 0.091508 0.392858 O\n0.443026 0.908492 0.892858 O\n0.556974 0.408492 0.607142 O\n0.145361 0.890046 0.131261 O\n0.854639 0.390046 0.368739 O\n0.645361 0.609954 0.868739 O\n0.354639 0.109954 0.631261 O\n0.059923 0.776069 0.991136 O\n0.940077 0.276069 0.508864 O\n0.559923 0.723931 0.008864 O\n0.440077 0.223931 0.491136 O\n0.017346 0.074312 0.787696 O\n0.982654 0.574312 0.712304 O\n0.517346 0.425688 0.212304 O\n0.482654 0.925688 0.287696 O\n0.694268 0.911828 0.740566 O\n0.305732 0.411828 0.759434 O\n0.194268 0.588172 0.259434 O\n0.805732 0.088172 0.240566 O\n0.313169 0.750224 0.732933 O\n0.686831 0.250224 0.767067 O\n0.813169 0.749776 0.267067 O\n0.186831 0.249776 0.232933 O\n0.396677 0.271840 0.963871 O\n0.603323 0.771840 0.536129 O\n0.896677 0.228160 0.036129 O\n0.103323 0.728160 0.463871 O\n0.933184 0.287615 0.969215 O\n0.066816 0.787615 0.530785 O\n0.433184 0.212385 0.030785 O\n0.566816 0.712385 0.469215 O\n",
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{
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"structure_string": "Ce8 Sn4 Se16\n1.0\n4.299765 0.000000 0.000000\n0.000000 12.274050 0.000000\n0.000000 0.000000 15.316921\nCe Sn Se\n8 4 16\ndirect\n0.250000 0.603858 0.096037 Ce\n0.750000 0.896142 0.596037 Ce\n0.250000 0.062126 0.897108 Ce\n0.750000 0.437874 0.397108 Ce\n0.250000 0.562126 0.602892 Ce\n0.750000 0.937874 0.102892 Ce\n0.750000 0.396142 0.903963 Ce\n0.250000 0.103858 0.403963 Ce\n0.750000 0.263526 0.661872 Sn\n0.250000 0.236474 0.161872 Sn\n0.750000 0.763526 0.838128 Sn\n0.250000 0.736474 0.338128 Sn\n0.750000 0.942895 0.409623 Se\n0.250000 0.557105 0.909623 Se\n0.750000 0.442895 0.090377 Se\n0.250000 0.057105 0.590377 Se\n0.750000 0.482278 0.712021 Se\n0.250000 0.017722 0.212021 Se\n0.750000 0.982278 0.787979 Se\n0.250000 0.517722 0.287979 Se\n0.750000 0.658195 0.488460 Se\n0.250000 0.841805 0.988460 Se\n0.750000 0.158195 0.011540 Se\n0.250000 0.341805 0.511540 Se\n0.750000 0.733941 0.196208 Se\n0.250000 0.766059 0.696208 Se\n0.750000 0.233941 0.303792 Se\n0.250000 0.266059 0.803792 Se\n",
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