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{
"id": "mp-1197311",
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"structure_string": "Rb16 Ta12 O46\n1.0\n7.577005 6.268386 0.000000\n-7.577005 6.268386 0.000000\n0.000000 0.155365 14.691219\nRb Ta O\n16 12 46\ndirect\n0.161515 0.838485 0.250000 Rb\n0.838485 0.161515 0.750000 Rb\n0.652014 0.347986 0.250000 Rb\n0.347986 0.652014 0.750000 Rb\n0.037424 0.887270 0.622688 Rb\n0.112730 0.962576 0.877312 Rb\n0.962576 0.112730 0.377312 Rb\n0.887270 0.037424 0.122688 Rb\n0.272609 0.453836 0.318232 Rb\n0.546164 0.727391 0.181768 Rb\n0.727391 0.546164 0.681768 Rb\n0.453836 0.272609 0.818232 Rb\n0.882856 0.575823 0.415130 Rb\n0.424177 0.117144 0.084870 Rb\n0.117144 0.424177 0.584870 Rb\n0.575823 0.882856 0.915130 Rb\n0.200923 0.676021 0.029560 Ta\n0.323979 0.799077 0.470440 Ta\n0.799077 0.323979 0.970440 Ta\n0.676021 0.200923 0.529560 Ta\n0.853765 0.668403 0.027723 Ta\n0.331597 0.146235 0.472277 Ta\n0.146235 0.331597 0.972277 Ta\n0.668403 0.853765 0.527723 Ta\n0.988849 0.439607 0.156981 Ta\n0.560393 0.011151 0.343019 Ta\n0.011151 0.560393 0.843019 Ta\n0.439607 0.988849 0.656981 Ta\n0.188300 0.651879 0.446175 O\n0.348121 0.811700 0.053825 O\n0.811700 0.348121 0.553825 O\n0.651879 0.188300 0.946175 O\n0.795461 0.745914 0.547793 O\n0.254086 0.204539 0.952207 O\n0.204539 0.254086 0.452207 O\n0.745914 0.795461 0.047793 O\n0.972878 0.391789 0.276781 O\n0.608211 0.027122 0.223219 O\n0.027122 0.608211 0.723219 O\n0.391789 0.972878 0.776781 O\n0.043937 0.778387 0.047645 O\n0.221613 0.956063 0.452355 O\n0.956063 0.221613 0.952355 O\n0.778387 0.043937 0.547645 O\n0.155342 0.590532 0.153681 O\n0.409468 0.844658 0.346319 O\n0.844658 0.409468 0.846319 O\n0.590532 0.155342 0.653681 O\n0.715480 0.492889 0.999706 O\n0.507111 0.284520 0.500294 O\n0.284520 0.507111 0.000294 O\n0.492889 0.715480 0.499706 O\n0.865647 0.581641 0.151113 O\n0.418359 0.134353 0.348887 O\n0.134353 0.418359 0.848887 O\n0.581641 0.865647 0.651113 O\n0.826123 0.308165 0.104025 O\n0.691835 0.173877 0.395975 O\n0.173877 0.691835 0.895975 O\n0.308165 0.826123 0.604025 O\n0.106742 0.311054 0.106506 O\n0.688946 0.893258 0.393494 O\n0.893258 0.688946 0.893494 O\n0.311054 0.106742 0.606506 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.472062 0.435507 0.112387 O\n0.564493 0.527938 0.387613 O\n0.527938 0.564493 0.887613 O\n0.435507 0.472062 0.612387 O\n0.873693 0.817656 0.281415 O\n0.182344 0.126307 0.218585 O\n0.126307 0.182344 0.718585 O\n0.817656 0.873693 0.781415 O\n",
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"formula_full": "Rb16 Ta12 O46",
"formula_reduced": "Rb8Ta6O23",
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"energy": -565.50854712,
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{
"id": "mp-1200863",
"created_at": "2022-09-04T14:39:48.483607Z",
"structure_string": "Fe4 P8 N4 O28\n1.0\n-7.512729 0.000000 2.026405\n-0.084300 0.000000 -8.420849\n0.000000 -10.025462 0.000000\nFe P N O\n4 8 4 28\ndirect\n0.761249 0.739621 0.084819 Fe\n0.238751 0.760379 0.584819 Fe\n0.238751 0.260379 0.915181 Fe\n0.761249 0.239621 0.415181 Fe\n0.574053 0.320144 0.134549 P\n0.425947 0.179856 0.634549 P\n0.425947 0.679856 0.865451 P\n0.574053 0.820144 0.365451 P\n0.869029 0.164677 0.105745 P\n0.130971 0.335323 0.605745 P\n0.130971 0.835323 0.894255 P\n0.869029 0.664677 0.394255 P\n0.799075 0.979223 0.695313 N\n0.200925 0.520777 0.195313 N\n0.200925 0.020777 0.304687 N\n0.799075 0.479223 0.804687 N\n0.689859 0.212489 0.058593 O\n0.310141 0.287511 0.558593 O\n0.310141 0.787511 0.941407 O\n0.689859 0.712489 0.441407 O\n0.613189 0.736661 0.920461 O\n0.386811 0.763339 0.420461 O\n0.386811 0.263339 0.079539 O\n0.613189 0.236661 0.579539 O\n0.902316 0.709691 0.246970 O\n0.097684 0.790309 0.746970 O\n0.097684 0.290309 0.753030 O\n0.902316 0.209691 0.253030 O\n0.838085 0.982871 0.078031 O\n0.161915 0.517129 0.578031 O\n0.161915 0.017129 0.921969 O\n0.838085 0.482871 0.421969 O\n0.978429 0.733517 0.977225 O\n0.021571 0.766483 0.477225 O\n0.021571 0.266483 0.022775 O\n0.978429 0.233517 0.522775 O\n0.576116 0.784284 0.215350 O\n0.423884 0.715716 0.715350 O\n0.423884 0.215716 0.784650 O\n0.576116 0.284284 0.284650 O\n0.660282 0.498758 0.101735 O\n0.339718 0.001242 0.601735 O\n0.339718 0.501242 0.898265 O\n0.660282 0.998758 0.398265 O\n",
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{
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"created_at": "2022-09-04T14:39:30.718510Z",
"structure_string": "Zn4 Co8 O16\n1.0\n2.927397 0.003350 0.002295\n-0.011440 -9.742128 -0.000450\n-0.007659 -0.001167 -9.690610\nZn Co O\n4 8 16\ndirect\n0.262458 0.747763 0.137368 Zn\n0.264665 0.251227 0.361805 Zn\n0.732928 0.756376 0.639998 Zn\n0.734582 0.249813 0.861404 Zn\n0.754816 0.571576 0.383170 Co\n0.751457 0.071968 0.118316 Co\n0.246235 0.071440 0.617290 Co\n0.758518 0.429629 0.118312 Co\n0.246141 0.429514 0.617816 Co\n0.753336 0.928419 0.380976 Co\n0.242646 0.929907 0.882900 Co\n0.250845 0.571071 0.881268 Co\n0.250703 0.886741 0.524816 O\n0.748647 0.111828 0.473808 O\n0.253565 0.998843 0.249128 O\n0.741623 0.888653 0.024936 O\n0.754493 0.613574 0.026058 O\n0.764439 0.249844 0.208000 O\n0.249121 0.113982 0.973787 O\n0.235401 0.248937 0.707713 O\n0.255841 0.498925 0.250722 O\n0.743218 0.996820 0.748851 O\n0.254549 0.612222 0.525770 O\n0.234363 0.749285 0.793214 O\n0.761308 0.749080 0.291389 O\n0.747562 0.497406 0.750937 O\n0.259994 0.388291 0.975415 O\n0.746543 0.386866 0.474834 O\n",
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"formula_full": "Zn4 Co8 O16",
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{
"id": "mp-770927",
"created_at": "2022-09-04T14:39:37.949640Z",
"structure_string": "Sm12 Ta4 O28\n1.0\n7.597208 0.000000 0.000000\n0.000000 7.677838 0.000000\n0.000000 0.000000 10.839122\nSm Ta O\n12 4 28\ndirect\n0.012145 0.794208 0.250000 Sm\n0.251641 0.962405 0.521937 Sm\n0.251641 0.962405 0.978063 Sm\n0.248359 0.462405 0.021937 Sm\n0.248359 0.462405 0.478063 Sm\n0.487855 0.294208 0.750000 Sm\n0.512145 0.705792 0.250000 Sm\n0.751641 0.537595 0.521937 Sm\n0.751641 0.537595 0.978063 Sm\n0.748359 0.037595 0.021937 Sm\n0.748359 0.037595 0.478063 Sm\n0.987855 0.205792 0.750000 Sm\n0.998980 0.748797 0.750000 Ta\n0.501020 0.248797 0.250000 Ta\n0.498980 0.751203 0.750000 Ta\n0.001020 0.251203 0.250000 Ta\n0.034121 0.050458 0.126056 O\n0.034121 0.050458 0.373944 O\n0.039421 0.586576 0.614150 O\n0.039421 0.586576 0.885850 O\n0.247539 0.325352 0.250000 O\n0.255281 0.731012 0.116825 O\n0.255281 0.731012 0.383175 O\n0.244719 0.231012 0.616825 O\n0.244719 0.231012 0.883175 O\n0.252461 0.825352 0.750000 O\n0.460579 0.086576 0.114150 O\n0.460579 0.086576 0.385850 O\n0.465879 0.550458 0.626056 O\n0.465879 0.550458 0.873944 O\n0.534121 0.449542 0.126056 O\n0.534121 0.449542 0.373944 O\n0.539421 0.913424 0.614150 O\n0.539421 0.913424 0.885850 O\n0.747539 0.174648 0.250000 O\n0.755281 0.768988 0.116825 O\n0.755281 0.768988 0.383175 O\n0.744719 0.268988 0.616825 O\n0.744719 0.268988 0.883175 O\n0.752461 0.674648 0.750000 O\n0.960579 0.413424 0.114150 O\n0.960579 0.413424 0.385850 O\n0.965879 0.949542 0.626056 O\n0.965879 0.949542 0.873944 O\n",
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{
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"structure_string": "Cs4 Au4 Se6\n1.0\n6.823760 5.004114 0.000000\n-6.823760 5.004114 0.000000\n0.000000 0.234091 7.613762\nCs Au Se\n4 4 6\ndirect\n0.865609 0.655786 0.632958 Cs\n0.655786 0.865609 0.132958 Cs\n0.134391 0.344214 0.367042 Cs\n0.344214 0.134391 0.867042 Cs\n0.353621 0.776636 0.541430 Au\n0.776636 0.353621 0.041430 Au\n0.646379 0.223364 0.458570 Au\n0.223364 0.646379 0.958570 Au\n0.949205 0.266797 0.824107 Se\n0.582785 0.417215 0.250000 Se\n0.417215 0.582785 0.750000 Se\n0.266797 0.949205 0.324107 Se\n0.733203 0.050795 0.675893 Se\n0.050795 0.733203 0.175893 Se\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "Rb2 Pr1 Ag1 F6\n1.0\n0.000000 4.756180 4.756180\n4.756180 0.000000 4.756180\n4.756180 4.756180 0.000000\nRb Pr Ag F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ag\n0.758910 0.758910 0.241090 F\n0.758910 0.241090 0.241090 F\n0.241090 0.241090 0.758910 F\n0.758910 0.241090 0.758910 F\n0.241090 0.758910 0.241090 F\n0.241090 0.758910 0.758910 F\n",
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"formula_full": "Rb2 Pr1 Ag1 F6",
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