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{
"id": "mp-656852",
"created_at": "2022-09-04T14:43:36.727919Z",
"structure_string": "Ti26 O44\n1.0\n5.077111 -5.799680 0.000000\n5.077111 5.799680 0.000000\n0.000000 0.000000 14.096888\nTi O\n26 44\ndirect\n0.200822 0.943895 0.818328 Ti\n0.056105 0.799178 0.181672 Ti\n0.233977 0.766023 0.500000 Ti\n0.442783 0.924844 0.349700 Ti\n0.075156 0.557217 0.650300 Ti\n0.424844 0.942783 0.150300 Ti\n0.057217 0.575156 0.849700 Ti\n0.266023 0.733977 0.000000 Ti\n0.443895 0.700822 0.681672 Ti\n0.299178 0.556105 0.318328 Ti\n0.000000 0.000000 0.000000 Ti\n0.659076 0.659076 0.157351 Ti\n0.159076 0.159076 0.342649 Ti\n0.500000 0.500000 0.500000 Ti\n0.340924 0.340924 0.842649 Ti\n0.840924 0.840924 0.657351 Ti\n0.556105 0.299178 0.318328 Ti\n0.700822 0.443895 0.681672 Ti\n0.733977 0.266023 0.000000 Ti\n0.942783 0.424844 0.150300 Ti\n0.575156 0.057217 0.849700 Ti\n0.557217 0.075156 0.650300 Ti\n0.924844 0.442783 0.349700 Ti\n0.766023 0.233977 0.500000 Ti\n0.799178 0.056105 0.181672 Ti\n0.943895 0.200822 0.818328 Ti\n0.223207 0.972566 0.418168 O\n0.027434 0.776793 0.581832 O\n0.207438 0.953693 0.080389 O\n0.046307 0.792562 0.919611 O\n0.394158 0.901348 0.909021 O\n0.098652 0.605842 0.090979 O\n0.278137 0.778137 0.250000 O\n0.221863 0.721863 0.750000 O\n0.401348 0.894158 0.590979 O\n0.105842 0.598652 0.409021 O\n0.619983 0.884134 0.241905 O\n0.615866 0.880017 0.741905 O\n0.119983 0.384134 0.258095 O\n0.115866 0.380017 0.758095 O\n0.453693 0.707438 0.419611 O\n0.292562 0.546307 0.580389 O\n0.472566 0.723207 0.081832 O\n0.276793 0.527434 0.918168 O\n0.848336 0.848336 0.099005 O\n0.510336 0.510336 0.248492 O\n0.010336 0.010336 0.251508 O\n0.348336 0.348336 0.400995 O\n0.651664 0.651664 0.599005 O\n0.489664 0.489664 0.751508 O\n0.151664 0.151664 0.900995 O\n0.989664 0.989664 0.748492 O\n0.723207 0.472566 0.081832 O\n0.527434 0.276793 0.918168 O\n0.707438 0.453693 0.419611 O\n0.546307 0.292562 0.580389 O\n0.384134 0.119983 0.258095 O\n0.380017 0.115866 0.758095 O\n0.884134 0.619983 0.241905 O\n0.880017 0.615866 0.741905 O\n0.598652 0.105842 0.409021 O\n0.894158 0.401348 0.590979 O\n0.778137 0.278137 0.250000 O\n0.721863 0.221863 0.750000 O\n0.605842 0.098652 0.090979 O\n0.901348 0.394158 0.909021 O\n0.953693 0.207438 0.080389 O\n0.792562 0.046307 0.919611 O\n0.972566 0.223207 0.418168 O\n0.776793 0.027434 0.581832 O\n",
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"elements": [
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"formula_full": "Ti26 O44",
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"updated_at": "2021-11-28T01:36:19.855000Z",
"spacegroup": 64
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{
"id": "mp-530398",
"created_at": "2022-09-04T14:40:06.051212Z",
"structure_string": "Li13 Mn21 O48\n1.0\n2.918943 5.092405 0.000000\n-2.918943 5.092405 0.000000\n0.000000 0.035458 28.713394\nLi Mn O\n13 21 48\ndirect\n0.832929 0.832929 0.357970 Li\n0.169254 0.169254 0.144789 Li\n0.166388 0.166388 0.333381 Li\n0.158573 0.158573 0.522816 Li\n0.499602 0.499602 0.307560 Li\n0.497715 0.497715 0.684758 Li\n0.666633 0.666633 0.583295 Li\n0.835592 0.835592 0.481827 Li\n0.833784 0.833784 0.856951 Li\n0.174670 0.174670 0.643755 Li\n0.166934 0.166934 0.832843 Li\n0.500370 0.500370 0.808811 Li\n0.834988 0.834988 0.979477 Li\n0.499624 0.499624 0.000692 Mn\n0.664970 0.168490 0.083265 Mn\n0.665685 0.665685 0.083618 Mn\n0.834198 0.834198 0.167846 Mn\n0.001917 0.496029 0.250149 Mn\n0.168490 0.664970 0.083265 Mn\n0.001929 0.001929 0.250174 Mn\n0.330483 0.836436 0.416698 Mn\n0.496029 0.001917 0.250149 Mn\n0.330884 0.330884 0.416543 Mn\n0.499999 0.499999 0.501859 Mn\n0.666705 0.166647 0.583303 Mn\n0.836436 0.330483 0.416698 Mn\n0.833279 0.833279 0.664721 Mn\n0.002892 0.496767 0.749905 Mn\n0.166647 0.666705 0.583303 Mn\n0.002435 0.002435 0.750056 Mn\n0.330663 0.839429 0.916670 Mn\n0.330646 0.330646 0.916581 Mn\n0.496767 0.002892 0.749905 Mn\n0.839429 0.330663 0.916670 Mn\n0.352662 0.352662 0.043876 O\n0.482627 0.482627 0.119197 O\n0.349677 0.790823 0.044213 O\n0.790823 0.349677 0.044213 O\n0.537652 0.984375 0.122705 O\n0.688923 0.688923 0.209927 O\n0.847227 0.847227 0.046994 O\n0.984375 0.537652 0.122705 O\n0.833353 0.833353 0.285173 O\n0.687797 0.124144 0.210367 O\n0.124144 0.687797 0.210367 O\n0.982623 0.982623 0.122747 O\n0.860031 0.320544 0.284474 O\n0.013202 0.013202 0.382086 O\n0.166513 0.166513 0.214216 O\n0.320544 0.860031 0.284474 O\n0.166267 0.166267 0.452377 O\n0.010826 0.473272 0.382287 O\n0.473272 0.010826 0.382287 O\n0.319386 0.319386 0.284653 O\n0.203111 0.646417 0.455724 O\n0.347948 0.347948 0.543848 O\n0.499613 0.499613 0.381719 O\n0.646417 0.203111 0.455724 O\n0.490403 0.490403 0.617710 O\n0.333704 0.792575 0.540643 O\n0.792575 0.333704 0.540643 O\n0.646251 0.646251 0.457059 O\n0.687024 0.687024 0.709584 O\n0.540701 0.999610 0.625986 O\n0.842879 0.842879 0.548903 O\n0.999610 0.540701 0.625986 O\n0.833737 0.833737 0.784934 O\n0.686849 0.130249 0.710919 O\n0.130249 0.686849 0.710919 O\n0.985299 0.985299 0.622762 O\n0.860122 0.322404 0.784463 O\n0.013299 0.013299 0.882140 O\n0.166981 0.166981 0.714208 O\n0.322404 0.860122 0.784463 O\n0.167140 0.167140 0.951786 O\n0.012090 0.475066 0.882309 O\n0.320065 0.320065 0.784663 O\n0.475066 0.012090 0.882309 O\n0.205438 0.647636 0.956698 O\n0.500148 0.500148 0.881917 O\n0.647636 0.205438 0.956698 O\n0.647109 0.647109 0.957306 O\n",
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"elements": [
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"density": 3.913750091742296,
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"volume": 853.6170404791101,
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"formula_full": "Li13 Mn21 O48",
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"updated_at": "2021-11-28T01:34:53.711000Z",
"spacegroup": 8
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{
"id": "mp-680343",
"created_at": "2022-09-04T14:40:17.327742Z",
"structure_string": "Ta84 Te52\n1.0\n19.571244 -0.000147 0.000936\n-9.785750 16.948983 0.004163\n0.000507 0.002832 10.700234\nTa Te\n84 52\ndirect\n0.287234 0.428243 0.677389 Ta\n0.714550 0.285322 0.718096 Ta\n0.500008 0.000049 0.396825 Ta\n0.712675 0.571662 0.677262 Ta\n0.425231 0.574499 0.552565 Ta\n0.731594 0.731648 0.599455 Ta\n0.852181 0.852209 0.801983 Ta\n0.666625 0.333296 0.491502 Ta\n0.145635 0.854464 0.759515 Ta\n0.291128 0.145606 0.759498 Ta\n0.287302 0.858981 0.677323 Ta\n0.330270 0.917162 0.421424 Ta\n0.854420 0.708827 0.759504 Ta\n0.586880 0.917161 0.421442 Ta\n0.428233 0.140990 0.677338 Ta\n0.500539 0.250296 0.466912 Ta\n0.250351 0.749694 0.466905 Ta\n0.163541 0.836564 0.493739 Ta\n0.330184 0.413122 0.421475 Ta\n0.586814 0.669766 0.421474 Ta\n0.141012 0.428244 0.677363 Ta\n0.850719 0.425255 0.552590 Ta\n0.326891 0.163492 0.493682 Ta\n0.000108 0.499976 0.396823 Ta\n0.574624 0.149307 0.552624 Ta\n0.427934 0.000025 0.637412 Ta\n0.082971 0.413138 0.421420 Ta\n0.836603 0.163501 0.493666 Ta\n0.499340 0.749680 0.466982 Ta\n0.147850 0.000063 0.801942 Ta\n0.731663 0.000080 0.599528 Ta\n0.285367 0.570724 0.718068 Ta\n0.285371 0.714517 0.718066 Ta\n0.000056 0.852226 0.801993 Ta\n0.854486 0.145607 0.759508 Ta\n0.083094 0.166176 0.568543 Ta\n0.916993 0.083119 0.568610 Ta\n0.082989 0.669796 0.421395 Ta\n0.712734 0.140993 0.677358 Ta\n0.413129 0.082938 0.421456 Ta\n0.145591 0.291143 0.759511 Ta\n0.749677 0.499363 0.467017 Ta\n0.000096 0.000144 0.677336 Ta\n0.708806 0.854433 0.759506 Ta\n0.572061 0.000025 0.637400 Ta\n0.000082 0.268372 0.599629 Ta\n0.413061 0.330239 0.421513 Ta\n0.571967 0.572009 0.637361 Ta\n0.083113 0.916992 0.568720 Ta\n0.149268 0.574523 0.552580 Ta\n0.000063 0.427906 0.637442 Ta\n0.428206 0.287243 0.677379 Ta\n0.268250 0.268309 0.599668 Ta\n0.425355 0.850758 0.552563 Ta\n0.163478 0.326919 0.493666 Ta\n0.852227 0.000069 0.801950 Ta\n0.250298 0.500572 0.466852 Ta\n0.917196 0.586893 0.421454 Ta\n0.268390 0.000052 0.599550 Ta\n0.574512 0.425228 0.552588 Ta\n0.499866 0.499939 0.396841 Ta\n0.000064 0.572042 0.637360 Ta\n0.833877 0.916986 0.568752 Ta\n0.669806 0.082947 0.421442 Ta\n0.859042 0.287264 0.677377 Ta\n0.916968 0.833904 0.568792 Ta\n0.571651 0.858966 0.677263 Ta\n0.836523 0.673035 0.493809 Ta\n0.000105 0.731634 0.599443 Ta\n0.917198 0.330260 0.421458 Ta\n0.000052 0.147846 0.801908 Ta\n0.147820 0.147851 0.801889 Ta\n0.429113 0.714495 0.718041 Ta\n0.570731 0.285338 0.718084 Ta\n0.333311 0.666621 0.491577 Ta\n0.166155 0.083120 0.568580 Ta\n0.858995 0.571670 0.677242 Ta\n0.571625 0.712683 0.677261 Ta\n0.669714 0.586876 0.421499 Ta\n0.427850 0.427893 0.637453 Ta\n0.749729 0.250306 0.466888 Ta\n0.673009 0.836536 0.493812 Ta\n0.714518 0.429103 0.718067 Ta\n0.141051 0.712696 0.677294 Ta\n0.999961 0.328204 0.840506 Te\n0.205393 0.602771 0.307197 Te\n0.220351 0.440698 0.908617 Te\n0.671809 0.999914 0.840468 Te\n0.801587 0.603101 0.254843 Te\n0.396975 0.198500 0.254788 Te\n0.111339 0.888586 0.000743 Te\n0.999950 0.671886 0.840460 Te\n0.557676 0.442440 0.809817 Te\n0.198491 0.397005 0.254773 Te\n0.328129 0.999914 0.840476 Te\n0.801422 0.801417 0.369623 Te\n0.999970 0.801400 0.369631 Te\n0.440706 0.220334 0.908600 Te\n0.999992 0.198632 0.369618 Te\n0.794711 0.397425 0.307188 Te\n0.220323 0.779591 0.908613 Te\n0.397328 0.794641 0.307208 Te\n0.000053 0.400790 0.196698 Te\n0.400729 0.400773 0.196827 Te\n0.400736 0.000016 0.196743 Te\n0.801575 0.198523 0.254780 Te\n0.328279 0.328265 0.840450 Te\n0.671903 0.671887 0.840390 Te\n0.666645 0.333315 0.939080 Te\n0.603054 0.801585 0.254845 Te\n0.333319 0.666636 0.939001 Te\n0.888596 0.777213 0.000737 Te\n0.599308 0.599351 0.196877 Te\n0.198515 0.801571 0.254800 Te\n0.559252 0.779576 0.908577 Te\n0.442428 0.557691 0.809830 Te\n0.397374 0.602765 0.307193 Te\n0.999930 0.999897 0.422289 Te\n0.801374 0.999947 0.369634 Te\n0.602671 0.205318 0.307181 Te\n0.999955 0.999917 0.933926 Te\n0.779596 0.559249 0.908564 Te\n0.779602 0.220309 0.908615 Te\n0.000082 0.599355 0.196751 Te\n0.602723 0.397452 0.307166 Te\n0.884702 0.442394 0.809840 Te\n0.599314 0.000041 0.196748 Te\n0.222666 0.111305 0.000739 Te\n0.777235 0.888588 0.000706 Te\n0.557643 0.115281 0.809873 Te\n0.115328 0.557686 0.809889 Te\n0.198590 0.999968 0.369624 Te\n0.888607 0.111314 0.000768 Te\n0.442343 0.884655 0.809867 Te\n0.111319 0.222652 0.000741 Te\n0.198640 0.198632 0.369608 Te\n",
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"formula_full": "Ta84 Te52",
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{
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