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{
"id": "mp-1516905",
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"structure_string": "Sr8 Pr4 Bi4 O24\n1.0\n8.715590 0.000000 -0.000000\n-0.000000 8.715590 0.000000\n-0.000000 -0.000000 8.715590\nSr Pr Bi O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 -0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Pr\n0.250000 0.750000 0.750000 Pr\n0.750000 0.250000 0.750000 Pr\n0.750000 0.750000 0.250000 Pr\n0.750000 0.750000 0.750000 Bi\n0.750000 0.250000 0.250000 Bi\n0.250000 0.750000 0.250000 Bi\n0.250000 0.250000 0.750000 Bi\n0.210635 0.300635 0.512206 O\n0.210635 0.699365 0.487794 O\n0.789365 0.300635 0.487794 O\n0.789365 0.699365 0.512206 O\n0.300635 0.512206 0.210635 O\n0.699365 0.487794 0.210635 O\n0.300635 0.487794 0.789365 O\n0.699365 0.512206 0.789365 O\n0.512206 0.210635 0.300635 O\n0.487794 0.210635 0.699365 O\n0.487794 0.789365 0.300635 O\n0.512206 0.789365 0.699365 O\n0.289365 0.199365 0.987794 O\n0.289365 0.800635 0.012206 O\n0.710635 0.199365 0.012206 O\n0.710635 0.800635 0.987794 O\n0.199365 0.987794 0.289365 O\n0.800635 0.012206 0.289365 O\n0.199365 0.012206 0.710635 O\n0.800635 0.987794 0.710635 O\n0.987794 0.289365 0.199365 O\n0.012206 0.289365 0.800635 O\n0.012206 0.710635 0.199365 O\n0.987794 0.710635 0.800635 O\n",
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{
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"structure_string": "Sr12 Pr8 B16 O48\n1.0\n7.403187 0.000000 0.000000\n0.000000 8.903286 0.000000\n0.000000 0.000000 16.796004\nSr Pr B O\n12 8 16 48\ndirect\n0.320672 0.349560 0.927300 Sr\n0.679328 0.650440 0.427300 Sr\n0.179328 0.849560 0.427300 Sr\n0.820672 0.150440 0.927300 Sr\n0.036849 0.327560 0.722127 Sr\n0.963151 0.672440 0.222127 Sr\n0.463151 0.827560 0.222127 Sr\n0.536849 0.172440 0.722127 Sr\n0.306866 0.351810 0.175546 Sr\n0.693134 0.648190 0.675546 Sr\n0.806866 0.148190 0.175546 Sr\n0.193134 0.851810 0.675546 Sr\n0.031163 0.329255 0.383646 Pr\n0.968837 0.670745 0.883646 Pr\n0.468837 0.829255 0.883646 Pr\n0.531163 0.170745 0.383646 Pr\n0.315520 0.465710 0.554672 Pr\n0.684480 0.534290 0.054672 Pr\n0.184480 0.965710 0.054672 Pr\n0.815520 0.034290 0.554672 Pr\n0.162237 0.061963 0.261439 B\n0.014985 0.370805 0.048933 B\n0.985015 0.629195 0.548933 B\n0.485015 0.870805 0.548933 B\n0.514985 0.129195 0.048933 B\n0.721692 0.355764 0.552440 B\n0.278308 0.644236 0.052440 B\n0.778308 0.855764 0.052440 B\n0.221692 0.144236 0.552440 B\n0.673478 0.451728 0.845602 B\n0.326522 0.548272 0.345602 B\n0.826522 0.951728 0.345602 B\n0.173478 0.048272 0.845602 B\n0.662237 0.438037 0.261439 B\n0.337763 0.561963 0.761439 B\n0.837763 0.938037 0.761439 B\n0.809497 0.491419 0.792758 O\n0.247596 0.719856 0.980798 O\n0.747596 0.780144 0.980798 O\n0.252404 0.219856 0.480798 O\n0.616663 0.259780 0.045585 O\n0.267870 0.218928 0.621302 O\n0.732130 0.781072 0.121302 O\n0.232130 0.718928 0.121302 O\n0.767870 0.281072 0.621302 O\n0.460948 0.055006 0.978858 O\n0.539052 0.944994 0.478858 O\n0.039052 0.555006 0.478858 O\n0.960948 0.444994 0.978858 O\n0.452560 0.073488 0.121280 O\n0.547440 0.926512 0.621280 O\n0.047440 0.573488 0.621280 O\n0.952560 0.426512 0.121280 O\n0.116663 0.240220 0.045585 O\n0.883337 0.759780 0.545585 O\n0.383337 0.740220 0.545585 O\n0.882815 0.060856 0.400570 O\n0.117185 0.939144 0.900570 O\n0.617185 0.560856 0.900570 O\n0.382815 0.439144 0.400570 O\n0.103559 0.191459 0.847828 O\n0.896441 0.808541 0.347828 O\n0.396441 0.691459 0.347828 O\n0.603559 0.308541 0.847828 O\n0.690503 0.991419 0.292758 O\n0.309497 0.008581 0.792758 O\n0.752404 0.280144 0.480798 O\n0.190503 0.508581 0.292758 O\n0.884163 0.038602 0.702362 O\n0.115837 0.961398 0.202362 O\n0.615837 0.538602 0.202362 O\n0.384163 0.461398 0.702362 O\n0.082611 0.204171 0.261059 O\n0.917389 0.795829 0.761059 O\n0.417389 0.704171 0.761059 O\n0.582611 0.295829 0.261059 O\n0.708819 0.971143 0.819220 O\n0.291181 0.028857 0.319220 O\n0.791181 0.471143 0.319220 O\n0.208819 0.528857 0.819220 O\n0.863327 0.992806 0.052675 O\n0.136673 0.007194 0.552675 O\n0.636673 0.492806 0.552675 O\n0.363327 0.507194 0.052675 O\n",
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"formula_full": "Sr12 Pr8 B16 O48",
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{
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"structure_string": "Sr2 Pr2 Al6 O14\n1.0\n5.604547 -5.609598 0.000000\n5.604547 5.609598 0.000000\n0.000000 0.000000 5.257564\nSr Pr Al O\n2 2 6 14\ndirect\n0.161478 0.838521 0.489670 Sr\n0.838521 0.161479 0.489670 Sr\n0.662841 0.662841 0.511455 Pr\n0.337159 0.337159 0.511455 Pr\n0.358519 0.641481 0.039437 Al\n0.855789 0.855789 0.961045 Al\n0.641481 0.358519 0.039437 Al\n0.144211 0.144211 0.961045 Al\n0.500000 0.000000 0.998792 Al\n0.000000 0.500000 0.998792 Al\n0.368763 0.631237 0.706921 O\n0.848686 0.848686 0.291670 O\n0.631237 0.368763 0.706921 O\n0.151314 0.151314 0.291670 O\n0.000000 0.000000 0.833898 O\n0.500000 0.500000 0.191394 O\n0.419051 0.833553 0.188092 O\n0.908370 0.661092 0.806090 O\n0.580949 0.166447 0.188092 O\n0.091630 0.338908 0.806090 O\n0.338908 0.091630 0.806090 O\n0.833553 0.419051 0.188092 O\n0.661092 0.908370 0.806090 O\n0.166447 0.580949 0.188092 O\n",
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"formula_full": "Sr2 Pr2 Al6 O14",
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{
"id": "mp-1217963",
"created_at": "2022-09-04T14:41:14.853711Z",
"structure_string": "Sr1 Pr1 Al1 O4\n1.0\n-1.890367 1.890367 6.254481\n1.890367 -1.890367 6.254481\n1.890367 1.890367 -6.254481\nSr Pr Al O\n1 1 1 4\ndirect\n0.643473 0.643473 0.000000 Sr\n0.359442 0.359442 0.000000 Pr\n0.004449 0.004449 0.000000 Al\n0.839160 0.839160 0.000000 O\n0.164599 0.164599 0.000000 O\n0.994439 0.494439 0.500000 O\n0.494439 0.994439 0.500000 O\n",
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{
"id": "mp-1201873",
"created_at": "2022-09-04T14:48:27.471212Z",
"structure_string": "Sr2 Pb4 I12 O14\n1.0\n-5.692952 5.692952 6.700760\n5.692952 -5.692952 6.700760\n5.692952 5.692952 -6.700760\nSr Pb I O\n2 4 12 14\ndirect\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.375000 0.125000 0.750000 Pb\n0.375000 0.625000 0.250000 Pb\n0.875000 0.625000 0.250000 Pb\n0.375000 0.625000 0.750000 Pb\n0.071538 0.571538 0.500000 I\n0.678462 0.678462 0.000000 I\n0.428462 0.928462 0.500000 I\n0.321538 0.321538 0.000000 I\n0.547591 0.452409 0.500000 I\n0.952409 0.047591 0.500000 I\n0.797591 0.202409 0.000000 I\n0.202409 0.797591 0.000000 I\n0.547591 0.047591 0.095182 I\n0.952409 0.452409 0.904818 I\n0.797591 0.797591 0.595182 I\n0.202409 0.202409 0.404818 I\n0.930790 0.430790 0.500000 O\n0.819210 0.819210 0.000000 O\n0.569210 0.069210 0.500000 O\n0.180790 0.180790 0.000000 O\n0.538936 0.255376 0.283560 O\n0.971816 0.255376 0.716440 O\n0.778184 0.994624 0.783560 O\n0.211064 0.994624 0.216440 O\n0.744624 0.461064 0.716440 O\n0.744624 0.028184 0.283560 O\n0.005376 0.221816 0.216440 O\n0.005376 0.788936 0.783560 O\n0.250000 0.750000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Sr2 Pb4 Cl12 O10\n1.0\n8.516474 0.000000 -1.608446\n4.334717 5.655876 5.796706\n4.334717 -5.655876 5.796706\nSr Pb Cl O\n2 4 12 10\ndirect\n0.250000 0.062443 0.937557 Sr\n0.750000 0.937557 0.062443 Sr\n0.509255 0.589222 0.711978 Pb\n0.990745 0.288022 0.410778 Pb\n0.490745 0.410778 0.288022 Pb\n0.009255 0.711978 0.589222 Pb\n0.139720 0.598758 0.861788 Cl\n0.360280 0.138212 0.401242 Cl\n0.860280 0.401242 0.138212 Cl\n0.639720 0.861788 0.598758 Cl\n0.605127 0.303033 0.563569 Cl\n0.894873 0.436431 0.696967 Cl\n0.394873 0.696967 0.436431 Cl\n0.105127 0.563569 0.303033 Cl\n0.486539 0.304538 0.997658 Cl\n0.013461 0.002342 0.695462 Cl\n0.513461 0.695462 0.002342 Cl\n0.986539 0.997658 0.304538 Cl\n0.243990 0.827869 0.793476 O\n0.256010 0.206524 0.172131 O\n0.756010 0.172131 0.206524 O\n0.743990 0.793476 0.827869 O\n0.065476 0.872411 0.040563 O\n0.434524 0.959437 0.127589 O\n0.934524 0.127589 0.959437 O\n0.565476 0.040563 0.872411 O\n0.250000 0.307745 0.692255 O\n0.750000 0.692255 0.307745 O\n",
"nsites": 28,
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"elements": [
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"density": 4.141497285854159,
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"formula_full": "Sr2 Pb4 Cl12 O10",
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{
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"created_at": "2022-09-04T14:41:12.106907Z",
"structure_string": "Sr2 Pb4 Br12 O10\n1.0\n6.361494 7.572785 0.000000\n-6.361494 7.572785 0.000000\n0.000000 3.944175 7.853317\nSr Pb Br O\n2 4 12 10\ndirect\n0.873322 0.126678 0.250000 Sr\n0.126678 0.873322 0.750000 Sr\n0.645624 0.655004 0.001597 Pb\n0.354376 0.344996 0.998403 Pb\n0.344996 0.354376 0.498403 Pb\n0.655004 0.645624 0.501597 Pb\n0.310366 0.065683 0.901949 Br\n0.689634 0.934317 0.098051 Br\n0.934317 0.689634 0.598051 Br\n0.065683 0.310366 0.401949 Br\n0.291257 0.597868 0.105117 Br\n0.708743 0.402132 0.894883 Br\n0.402132 0.708743 0.394883 Br\n0.597868 0.291257 0.605117 Br\n0.457544 0.151002 0.303351 Br\n0.542456 0.848998 0.696649 Br\n0.848998 0.542456 0.196649 Br\n0.151002 0.457544 0.803351 Br\n0.936029 0.016877 0.546214 O\n0.063971 0.983123 0.453786 O\n0.983123 0.063971 0.953786 O\n0.016877 0.936029 0.046214 O\n0.743632 0.884599 0.288127 O\n0.256368 0.115401 0.711873 O\n0.115401 0.256368 0.211873 O\n0.884599 0.743632 0.788127 O\n0.674814 0.325186 0.250000 O\n0.325186 0.674814 0.750000 O\n",
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"formula_full": "Sr2 Pb4 Br12 O10",
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{
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