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{
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{
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"structure_string": "Ti20 Ge9 Sb3\n1.0\n5.250632 0.000000 0.000000\n0.000000 7.674010 0.000000\n0.000000 0.001501 13.409970\nTi Ge Sb\n20 9 3\ndirect\n0.743846 0.006772 0.333387 Ti\n0.746825 0.502489 0.828833 Ti\n0.743647 0.494446 0.169298 Ti\n0.746609 0.002726 0.670672 Ti\n0.256353 0.494446 0.169298 Ti\n0.253391 0.002726 0.670672 Ti\n0.256154 0.006772 0.333387 Ti\n0.253175 0.502489 0.828833 Ti\n0.000000 0.262486 0.500108 Ti\n0.000000 0.760450 0.993565 Ti\n0.000000 0.612990 0.375288 Ti\n0.000000 0.118931 0.867993 Ti\n0.000000 0.130027 0.129969 Ti\n0.000000 0.618677 0.631326 Ti\n0.500000 0.744531 0.500399 Ti\n0.500000 0.243878 0.000165 Ti\n0.500000 0.875124 0.124891 Ti\n0.500000 0.373812 0.628216 Ti\n0.500000 0.372291 0.372223 Ti\n0.500000 0.873092 0.871550 Ti\n0.000000 0.303319 0.694669 Ge\n0.000000 0.303092 0.305735 Ge\n0.000000 0.803442 0.803075 Ge\n0.500000 0.613163 0.999228 Ge\n0.500000 0.114784 0.501656 Ge\n0.500000 0.694577 0.307465 Ge\n0.500000 0.195792 0.806640 Ge\n0.500000 0.193359 0.193674 Ge\n0.500000 0.696059 0.693486 Ge\n0.000000 0.889382 0.501280 Sb\n0.000000 0.391211 0.997811 Sb\n0.000000 0.802591 0.195195 Sb\n",
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"formula_full": "Ti20 Ge9 Sb3",
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{
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"formula_full": "Tl5 N1 O5",
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{
"id": "mp-1221009",
"created_at": "2022-09-04T14:48:20.808679Z",
"structure_string": "Na1 Pr3 Mn4 O12\n1.0\n7.733063 0.000000 0.000000\n0.000000 5.507636 0.000000\n0.000000 0.036634 5.517107\nNa Pr Mn O\n1 3 4 12\ndirect\n0.000000 0.495196 0.478783 Na\n0.000000 0.009243 0.963576 Pr\n0.500000 0.507979 0.535365 Pr\n0.500000 0.997583 0.031058 Pr\n0.244824 0.001555 0.497908 Mn\n0.755692 0.500067 0.003881 Mn\n0.755176 0.001555 0.497908 Mn\n0.244308 0.500067 0.003881 Mn\n0.223222 0.206410 0.207412 O\n0.783095 0.274687 0.723815 O\n0.710185 0.779148 0.779436 O\n0.298054 0.727703 0.274912 O\n0.289815 0.779148 0.779436 O\n0.701946 0.727703 0.274912 O\n0.776778 0.206410 0.207412 O\n0.216905 0.274687 0.723815 O\n0.000000 0.574396 0.019201 O\n0.000000 0.928457 0.515655 O\n0.500000 0.435473 0.987840 O\n0.500000 0.072533 0.493794 O\n",
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{
"id": "mp-997552",
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"structure_string": "Fe10 O14 F6\n1.0\n15.217823 0.000000 0.000000\n0.000000 4.656929 0.000000\n0.000000 0.003311 4.657880\nFe O F\n10 14 6\ndirect\n0.192647 0.014328 0.962511 Fe\n0.000000 0.971447 0.019056 Fe\n0.807353 0.014328 0.962511 Fe\n0.600919 0.980228 0.989342 Fe\n0.399081 0.980228 0.989342 Fe\n0.099986 0.492803 0.492169 Fe\n0.693918 0.510616 0.529386 Fe\n0.900014 0.492803 0.492169 Fe\n0.500000 0.513597 0.517822 Fe\n0.306082 0.510616 0.529386 Fe\n0.094816 0.791756 0.803328 O\n0.905184 0.791756 0.803328 O\n0.703764 0.820329 0.808939 O\n0.500000 0.804493 0.817547 O\n0.296236 0.820329 0.808939 O\n0.199294 0.320064 0.679092 O\n0.800706 0.320064 0.679092 O\n0.595927 0.304103 0.703534 O\n0.404073 0.304103 0.703534 O\n0.000000 0.671483 0.315121 O\n0.597620 0.696390 0.312453 O\n0.402380 0.696390 0.312453 O\n0.096337 0.184559 0.192835 O\n0.903663 0.184559 0.192835 O\n0.000000 0.287075 0.697314 F\n0.201842 0.706658 0.295586 F\n0.798158 0.706658 0.295586 F\n0.701920 0.206499 0.196134 F\n0.298080 0.206499 0.196134 F\n0.500000 0.195240 0.202520 F\n",
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{
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"structure_string": "Li4 Cu3 Ni1 P4 O16\n1.0\n4.737172 0.037371 0.000000\n0.081655 9.965899 0.000000\n0.000000 0.000000 6.072988\nLi Cu Ni P O\n4 3 1 4 16\ndirect\n0.997502 0.997739 0.999922 Li\n0.997502 0.997739 0.500078 Li\n0.500790 0.500372 0.497393 Li\n0.500790 0.500372 0.002607 Li\n0.049687 0.713205 0.750000 Cu\n0.449918 0.216881 0.750000 Cu\n0.547734 0.784568 0.250000 Cu\n0.978858 0.277966 0.250000 Ni\n0.081617 0.596285 0.250000 P\n0.420216 0.094234 0.250000 P\n0.576041 0.904902 0.750000 P\n0.918663 0.403255 0.750000 P\n0.198673 0.449833 0.250000 O\n0.218042 0.665224 0.046152 O\n0.218042 0.665224 0.453848 O\n0.246157 0.394614 0.750000 O\n0.251141 0.897487 0.750000 O\n0.273361 0.165252 0.048993 O\n0.273361 0.165252 0.451007 O\n0.307727 0.947907 0.250000 O\n0.682359 0.053334 0.750000 O\n0.717965 0.837921 0.545693 O\n0.717965 0.837921 0.954307 O\n0.742486 0.099844 0.250000 O\n0.755414 0.604668 0.250000 O\n0.783404 0.337756 0.543380 O\n0.783404 0.337756 0.956620 O\n0.811184 0.552487 0.750000 O\n",
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{
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"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n6.092229 0.000000 0.000000\n0.000000 10.461450 0.000000\n0.000000 0.013109 14.279335\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.750601 0.998190 0.667001 Li\n0.249549 0.999066 0.999552 Li\n0.750451 0.999066 0.999552 Li\n0.249767 0.999160 0.333478 Li\n0.750233 0.999160 0.333478 Li\n0.249399 0.998190 0.667001 Li\n0.249772 0.502042 0.500488 Li\n0.750228 0.502042 0.500488 Li\n0.249637 0.500560 0.166622 Li\n0.750363 0.500560 0.166622 Li\n0.249186 0.501425 0.833438 Li\n0.750814 0.501425 0.833438 Li\n0.500000 0.217820 0.493442 Mn\n0.500000 0.218026 0.826233 Mn\n0.000000 0.280648 0.326289 Mn\n0.500000 0.719597 0.007444 Mn\n0.500000 0.219652 0.159761 Fe\n0.000000 0.281612 0.659071 Fe\n0.000000 0.281201 0.992679 Fe\n0.500000 0.720217 0.340788 Fe\n0.500000 0.720745 0.673188 Co\n0.000000 0.779060 0.838670 Co\n0.000000 0.778483 0.507360 Co\n0.000000 0.779843 0.173012 Co\n0.000000 0.093097 0.804893 P\n0.000000 0.093324 0.138625 P\n0.000000 0.091198 0.472942 P\n0.500000 0.407531 0.304604 P\n0.500000 0.408509 0.640123 P\n0.500000 0.405766 0.973452 P\n0.000000 0.596809 0.361299 P\n0.000000 0.594773 0.028476 P\n0.000000 0.596302 0.693957 P\n0.500000 0.904505 0.859515 P\n0.500000 0.905411 0.194489 P\n0.500000 0.903047 0.527755 P\n0.500000 0.042345 0.236101 O\n0.500000 0.039605 0.569788 O\n0.500000 0.040896 0.902296 O\n0.000000 0.096538 0.580227 O\n0.000000 0.097760 0.912387 O\n0.000000 0.095050 0.246034 O\n0.202140 0.164246 0.094717 O\n0.797860 0.164246 0.094717 O\n0.201466 0.161406 0.427783 O\n0.798534 0.161406 0.427783 O\n0.200934 0.163495 0.759363 O\n0.799066 0.163495 0.759363 O\n0.702560 0.337214 0.596552 O\n0.297440 0.337214 0.596552 O\n0.700181 0.336634 0.259481 O\n0.299819 0.336634 0.259481 O\n0.702975 0.335054 0.930027 O\n0.297025 0.335054 0.930027 O\n0.500000 0.404041 0.412036 O\n0.500000 0.404008 0.080688 O\n0.500000 0.405971 0.747410 O\n0.000000 0.459790 0.403195 O\n0.000000 0.456732 0.068393 O\n0.000000 0.459103 0.735070 O\n0.500000 0.545430 0.264634 O\n0.500000 0.541944 0.930683 O\n0.500000 0.545405 0.597960 O\n0.000000 0.597825 0.253598 O\n0.000000 0.598868 0.920715 O\n0.000000 0.598547 0.586370 O\n0.200840 0.664698 0.074103 O\n0.202079 0.667382 0.405435 O\n0.202872 0.667535 0.738607 O\n0.797128 0.667535 0.738607 O\n0.799160 0.664698 0.074103 O\n0.797921 0.667382 0.405435 O\n0.704314 0.834636 0.903066 O\n0.295686 0.834636 0.903066 O\n0.702945 0.834585 0.238340 O\n0.702972 0.832016 0.571946 O\n0.297055 0.834585 0.238340 O\n0.297028 0.832016 0.571946 O\n0.500000 0.903178 0.752039 O\n0.500000 0.902288 0.420480 O\n0.500000 0.905193 0.086879 O\n0.000000 0.954979 0.765211 O\n0.000000 0.955223 0.096982 O\n0.000000 0.953413 0.432760 O\n",
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{
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"structure_string": "Fe6 O6 F6\n1.0\n3.067600 0.000000 0.000000\n0.000000 4.765432 0.000000\n0.000000 0.139795 14.174600\nFe O F\n6 6 6\ndirect\n0.000000 0.985123 0.996182 Fe\n0.000000 0.996408 0.333440 Fe\n0.000000 0.990865 0.667951 Fe\n0.500000 0.497857 0.188504 Fe\n0.500000 0.498161 0.478746 Fe\n0.500000 0.551832 0.832934 Fe\n0.500000 0.808978 0.269504 O\n0.500000 0.806208 0.940140 O\n0.000000 0.699880 0.768105 O\n0.000000 0.695823 0.436314 O\n0.000000 0.294705 0.228229 O\n0.500000 0.183627 0.398284 O\n0.500000 0.795915 0.599363 F\n0.000000 0.699015 0.098538 F\n0.000000 0.301860 0.570491 F\n0.000000 0.300493 0.899642 F\n0.500000 0.188272 0.057569 F\n0.500000 0.204976 0.736063 F\n",
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