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{
"id": "mp-768407",
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"structure_string": "Li24 Ti5 Cr7 O36\n1.0\n5.051696 0.000000 0.000000\n-0.798503 9.751500 0.000000\n-2.479320 -1.884385 13.031214\nLi Ti Cr O\n24 5 7 36\ndirect\n0.164644 0.001288 0.833161 Li\n0.049667 0.000763 0.614477 Li\n0.997633 0.750934 0.249812 Li\n0.333130 0.750345 0.917188 Li\n0.046207 0.497288 0.112288 Li\n0.376623 0.500895 0.778906 Li\n0.173584 0.498854 0.332865 Li\n0.501171 0.502126 0.998844 Li\n0.284374 0.501361 0.554759 Li\n0.334929 0.249713 0.415219 Li\n0.509305 0.999241 0.497814 Li\n0.282392 0.000859 0.052587 Li\n0.614342 0.997781 0.718365 Li\n0.381764 0.999329 0.280398 Li\n0.718553 0.000012 0.947454 Li\n0.663630 0.750044 0.582622 Li\n0.706743 0.499658 0.445615 Li\n0.841244 0.499548 0.665551 Li\n0.621276 0.502059 0.222728 Li\n0.953528 0.498364 0.887378 Li\n0.666405 0.250373 0.083914 Li\n0.833288 0.998335 0.167703 Li\n0.000689 0.250156 0.750383 Li\n0.949295 0.999824 0.387494 Li\n0.112806 0.750363 0.472965 Ti\n0.448843 0.255750 0.639468 Ti\n0.552378 0.245112 0.860394 Ti\n0.776003 0.746184 0.807784 Ti\n0.772907 0.248745 0.306170 Ti\n0.104664 0.249996 0.974384 Cr\n0.219194 0.751267 0.694341 Cr\n0.225541 0.251753 0.193094 Cr\n0.445646 0.751825 0.135326 Cr\n0.552106 0.748769 0.358008 Cr\n0.895601 0.248479 0.526438 Cr\n0.894384 0.750704 0.031387 Cr\n0.999035 0.862036 0.930865 O\n0.069644 0.633548 0.787092 O\n0.999491 0.362630 0.431840 O\n0.145971 0.363668 0.644428 O\n0.262424 0.364066 0.884217 O\n0.335607 0.864518 0.594029 O\n0.071462 0.135951 0.283157 O\n0.181409 0.137587 0.521502 O\n0.401678 0.135656 0.953645 O\n0.133481 0.862314 0.140570 O\n0.269159 0.864802 0.380151 O\n0.471690 0.861809 0.809426 O\n0.333728 0.136038 0.737710 O\n0.199922 0.637272 0.027704 O\n0.399383 0.632345 0.451776 O\n0.519305 0.638662 0.689860 O\n0.337430 0.641158 0.238907 O\n0.668017 0.636775 0.907199 O\n0.337192 0.361516 0.099556 O\n0.667232 0.364789 0.762582 O\n0.479325 0.365147 0.310964 O\n0.598210 0.363989 0.546371 O\n0.818773 0.363169 0.978422 O\n0.665121 0.862178 0.258374 O\n0.514724 0.136786 0.188776 O\n0.739447 0.136353 0.616765 O\n0.854289 0.135690 0.856141 O\n0.591770 0.865296 0.050152 O\n0.804689 0.861042 0.474139 O\n0.936665 0.864890 0.714694 O\n0.662023 0.135144 0.402472 O\n0.743467 0.635759 0.116110 O\n0.852346 0.637487 0.355574 O\n0.001096 0.638520 0.575177 O\n0.933625 0.364615 0.214422 O\n0.996676 0.138696 0.067945 O\n",
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"formula_full": "Li24 Ti5 Cr7 O36",
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{
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"structure_string": "Li6 Mn2 O2 F6\n1.0\n1.534651 4.971679 0.000000\n-1.534651 4.971679 0.000000\n0.000000 1.976922 10.285641\nLi Mn O F\n6 2 2 6\ndirect\n0.249835 0.249835 0.886103 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.750165 0.750165 0.113897 Li\n0.001221 0.001221 0.251221 Li\n0.998779 0.998779 0.748779 Li\n0.256572 0.256572 0.379892 Mn\n0.743428 0.743428 0.620108 Mn\n0.119841 0.119841 0.567569 O\n0.880159 0.880159 0.432431 O\n0.126155 0.126155 0.059441 F\n0.375977 0.375977 0.174204 F\n0.369926 0.369926 0.709773 F\n0.873845 0.873845 0.940559 F\n0.624023 0.624023 0.825796 F\n0.630074 0.630074 0.290227 F\n",
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{
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{
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"structure_string": "Tb1 C2\n1.0\n-1.845992 1.845992 3.124039\n1.845992 -1.845992 3.124039\n1.845992 1.845992 -3.124039\nTb C\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.604247 0.604247 0.000000 C\n0.395753 0.395753 0.000000 C\n",
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{
"id": "mp-1201878",
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"structure_string": "Ba2 U4 P4 O38\n1.0\n16.003877 0.000000 0.000000\n0.000000 7.046348 0.000000\n0.000000 0.108717 7.052490\nBa U P O\n2 4 4 38\ndirect\n0.816500 0.206022 0.555667 Ba\n0.316500 0.793978 0.444333 Ba\n0.567694 0.529110 0.461688 U\n0.067694 0.470890 0.538312 U\n0.673816 0.037875 0.975897 U\n0.173816 0.962125 0.024103 U\n0.622298 0.540653 0.958490 P\n0.122298 0.459347 0.041510 P\n0.617450 0.045019 0.459804 P\n0.117450 0.954981 0.540196 P\n0.681168 0.484256 0.475773 O\n0.181168 0.515744 0.524227 O\n0.562155 0.024526 0.010299 O\n0.062155 0.975474 0.989701 O\n0.574346 0.850889 0.452195 O\n0.074346 0.149111 0.547805 O\n0.552428 0.207148 0.439145 O\n0.052428 0.792852 0.560855 O\n0.563666 0.540369 0.782651 O\n0.063666 0.459631 0.217349 O\n0.688046 0.062923 0.306017 O\n0.188046 0.937077 0.693983 O\n0.569974 0.544967 0.143392 O\n0.069974 0.455033 0.856608 O\n0.680253 0.718524 0.949255 O\n0.180253 0.281476 0.050745 O\n0.677574 0.359317 0.957360 O\n0.177574 0.640683 0.042640 O\n0.664345 0.066564 0.652398 O\n0.164345 0.933436 0.347602 O\n0.452227 0.563365 0.455616 O\n0.952227 0.436635 0.544384 O\n0.787348 0.056651 0.924276 O\n0.287348 0.943349 0.075724 O\n0.847275 0.707770 0.679186 O\n0.347275 0.292230 0.320814 O\n0.917874 0.959781 0.260697 O\n0.417874 0.040219 0.739303 O\n0.851256 0.386886 0.168007 O\n0.351256 0.613114 0.831993 O\n0.895099 0.815899 0.774157 O\n0.395099 0.184101 0.225843 O\n0.398832 0.621798 0.968848 O\n0.898832 0.378202 0.031152 O\n0.810053 0.783556 0.531861 O\n0.310053 0.216444 0.468139 O\n0.417624 0.199943 0.807507 O\n0.917624 0.800057 0.192493 O\n",
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{
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"structure_string": "Na2 Zr1 Mo2 O10\n1.0\n3.513933 0.000000 -0.153482\n0.000000 5.076940 0.000000\n-0.502204 2.538470 10.122993\nNa Zr Mo O\n2 1 2 10\ndirect\n0.077408 0.811902 0.376195 Na\n0.922592 0.188098 0.623805 Na\n0.000000 0.000000 0.000000 Zr\n0.588592 0.410051 0.179899 Mo\n0.411408 0.589949 0.820101 Mo\n0.045218 0.649787 0.174922 O\n0.954782 0.824710 0.825078 O\n0.954782 0.350213 0.825078 O\n0.045218 0.175290 0.174922 O\n0.500000 0.740466 0.000000 O\n0.500000 0.259534 0.000000 O\n0.587875 0.461644 0.369422 O\n0.412125 0.831066 0.630578 O\n0.412125 0.538356 0.630578 O\n0.587875 0.168934 0.369422 O\n",
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{
"id": "mp-755522",
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"structure_string": "Li8 Cr6 Ga2 O16\n1.0\n-0.000110 5.112679 -0.001957\n1.479587 0.850236 4.878205\n10.358103 -0.850492 -4.878471\nLi Cr Ga O\n8 6 2 16\ndirect\n0.999859 0.999930 0.999995 Li\n0.999855 0.499939 0.499993 Li\n0.500147 0.125059 0.125008 Li\n0.500149 0.625058 0.625004 Li\n0.000027 0.250150 0.249993 Li\n0.000030 0.750151 0.749995 Li\n0.499982 0.374854 0.375002 Li\n0.499979 0.874850 0.875002 Li\n0.750057 0.062502 0.562522 Cr\n0.250042 0.687784 0.187872 Cr\n0.249898 0.437178 0.937129 Cr\n0.750014 0.562487 0.062503 Cr\n0.250122 0.187768 0.687844 Cr\n0.249879 0.937253 0.437136 Cr\n0.749984 0.812502 0.312507 Ga\n0.749993 0.312509 0.812506 Ga\n0.122212 0.364503 0.090760 O\n0.122232 0.864509 0.590760 O\n0.377791 0.760473 0.034240 O\n0.377796 0.260487 0.534238 O\n0.621858 0.490329 0.216344 O\n0.621867 0.990326 0.716340 O\n0.878142 0.134686 0.408670 O\n0.878132 0.634678 0.908664 O\n0.878268 0.886056 0.159789 O\n0.878294 0.386056 0.659786 O\n0.621701 0.738974 0.465219 O\n0.621714 0.238955 0.965215 O\n0.119194 0.614379 0.340815 O\n0.119206 0.114359 0.840798 O\n0.380781 0.010635 0.284182 O\n0.380801 0.510614 0.784168 O\n",
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{
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"structure_string": "Ho6 Ga8 Cu4\n1.0\n2.159784 -3.740855 0.000000\n2.159784 3.740855 0.000000\n0.000000 0.000000 21.989102\nHo Ga Cu\n6 8 4\ndirect\n0.000000 0.000000 0.256408 Ho\n0.000000 0.000000 0.589327 Ho\n0.000000 0.000000 0.922016 Ho\n0.000000 0.000000 0.078589 Ho\n0.000000 0.000000 0.412749 Ho\n0.000000 0.000000 0.745357 Ho\n0.333333 0.666667 0.339625 Ga\n0.333333 0.666667 0.672591 Ga\n0.333333 0.666667 0.154612 Ga\n0.333333 0.666667 0.487439 Ga\n0.333333 0.666667 0.819956 Ga\n0.666667 0.333333 0.180751 Ga\n0.666667 0.333333 0.513231 Ga\n0.666667 0.333333 0.845446 Ga\n0.666667 0.333333 0.324989 Cu\n0.666667 0.333333 0.657266 Cu\n0.666667 0.333333 0.992435 Cu\n0.333333 0.666667 0.007214 Cu\n",
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{
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"structure_string": "Mg2 Ta4 O12\n1.0\n5.229550 0.000000 0.000000\n0.000000 5.510996 0.000000\n0.000000 0.000000 7.608652\nMg Ta O\n2 4 12\ndirect\n0.524565 0.321128 0.500000 Mg\n0.024565 0.678872 0.000000 Mg\n0.509504 0.760639 0.748379 Ta\n0.009504 0.239361 0.751621 Ta\n0.009504 0.239361 0.248379 Ta\n0.509504 0.760639 0.251621 Ta\n0.675910 0.068903 0.315259 O\n0.175910 0.931097 0.184741 O\n0.781105 0.529904 0.698953 O\n0.281105 0.470096 0.801047 O\n0.281105 0.470096 0.198953 O\n0.781105 0.529904 0.301047 O\n0.175910 0.931097 0.815259 O\n0.675910 0.068903 0.684741 O\n0.137811 0.226123 0.500000 O\n0.637811 0.773877 0.000000 O\n0.415337 0.709197 0.500000 O\n0.915337 0.290803 0.000000 O\n",
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