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{
"id": "mp-1217486",
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{
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{
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"structure_string": "Ti4 O14\n1.0\n5.986947 0.000000 0.000000\n2.938567 5.312581 0.000000\n0.342547 0.483109 10.872632\nTi O\n4 14\ndirect\n0.663809 0.683404 0.327915 Ti\n0.667457 0.658566 0.663358 Ti\n0.332543 0.341434 0.336642 Ti\n0.336191 0.316596 0.672085 Ti\n0.527560 0.460155 0.716284 O\n0.657595 0.676281 0.999328 O\n0.426037 0.759122 0.034293 O\n0.479129 0.979904 0.713667 O\n0.664152 0.670571 0.495505 O\n0.999304 0.517919 0.713117 O\n0.805443 0.712520 0.069100 O\n0.194557 0.287480 0.930900 O\n0.000696 0.482081 0.286883 O\n0.335848 0.329429 0.504495 O\n0.520871 0.020096 0.286333 O\n0.573963 0.240878 0.965707 O\n0.342405 0.323719 0.000672 O\n0.472440 0.539845 0.283716 O\n",
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{
"id": "mp-1197786",
"created_at": "2022-09-04T14:42:52.829436Z",
"structure_string": "Rb8 C8 N16\n1.0\n7.692894 0.000000 0.000000\n0.000000 9.327463 0.000000\n0.000000 0.000000 9.410505\nRb C N\n8 8 16\ndirect\n0.515845 0.251893 0.152132 Rb\n0.484155 0.751893 0.347868 Rb\n0.015845 0.248107 0.847868 Rb\n0.984155 0.748107 0.652132 Rb\n0.733742 0.098342 0.509047 Rb\n0.266258 0.598342 0.990953 Rb\n0.233742 0.401658 0.490953 Rb\n0.766258 0.901658 0.009047 Rb\n0.731568 0.439438 0.489864 C\n0.268432 0.939438 0.010136 C\n0.231568 0.060562 0.510136 C\n0.768432 0.560562 0.989864 C\n0.984733 0.749060 0.313719 C\n0.015267 0.249060 0.186281 C\n0.484733 0.750940 0.686281 C\n0.515267 0.250940 0.813719 C\n0.859311 0.437126 0.569666 N\n0.140689 0.937126 0.930334 N\n0.359311 0.062874 0.430334 N\n0.640689 0.562874 0.069666 N\n0.604160 0.438091 0.409803 N\n0.395840 0.938091 0.090197 N\n0.104160 0.061909 0.590197 N\n0.895840 0.561909 0.909803 N\n0.111237 0.668314 0.299924 N\n0.888763 0.168314 0.200076 N\n0.611237 0.831686 0.700076 N\n0.388763 0.331686 0.799924 N\n0.859480 0.830260 0.331233 N\n0.140520 0.330260 0.168767 N\n0.359480 0.669740 0.668767 N\n0.640520 0.169740 0.831233 N\n",
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"spacegroup": 19
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{
"id": "mp-753856",
"created_at": "2022-09-04T14:42:52.842287Z",
"structure_string": "Hf4 Fe4 O12\n1.0\n5.427722 0.000000 0.000000\n0.000000 5.511527 0.000000\n0.000000 0.000000 7.875288\nHf Fe O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.990932 0.462914 0.750000 Fe\n0.509068 0.962914 0.750000 Fe\n0.490932 0.037086 0.250000 Fe\n0.009068 0.537086 0.250000 Fe\n0.118154 0.921904 0.250000 O\n0.170238 0.674583 0.565172 O\n0.170238 0.674583 0.934828 O\n0.329762 0.174583 0.565172 O\n0.329762 0.174583 0.934828 O\n0.381846 0.421904 0.250000 O\n0.618154 0.578096 0.750000 O\n0.670238 0.825417 0.065172 O\n0.670238 0.825417 0.434828 O\n0.829762 0.325417 0.065172 O\n0.829762 0.325417 0.434828 O\n0.881846 0.078096 0.750000 O\n",
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"formula_full": "Hf4 Fe4 O12",
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{
"id": "mp-1042656",
"created_at": "2022-09-04T14:42:52.882716Z",
"structure_string": "W6 O16\n1.0\n5.853167 0.000000 0.000000\n0.000000 5.072256 0.000000\n0.000000 4.963489 9.639870\nW O\n6 16\ndirect\n0.655271 0.500000 0.750000 W\n0.344729 0.500000 0.250000 W\n0.830572 0.759569 0.006011 W\n0.830572 0.240431 0.493989 W\n0.169428 0.240431 0.993989 W\n0.169428 0.759569 0.506011 W\n0.655621 0.954295 0.631599 O\n0.655621 0.045705 0.868401 O\n0.344379 0.045705 0.368401 O\n0.344379 0.954295 0.131599 O\n0.109670 0.476986 0.105053 O\n0.109670 0.523014 0.394947 O\n0.890330 0.523014 0.894947 O\n0.890330 0.476986 0.605053 O\n0.397451 0.516297 0.618037 O\n0.397451 0.483703 0.881963 O\n0.602549 0.483703 0.381963 O\n0.602549 0.516297 0.118037 O\n0.106301 0.957931 0.608753 O\n0.893699 0.042069 0.391247 O\n0.106301 0.042069 0.891247 O\n0.893699 0.957931 0.108753 O\n",
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{
"id": "mp-1238141",
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"structure_string": "V4 Ni2 H16 O20\n1.0\n4.580125 6.560965 0.000000\n-4.580125 6.560965 0.000000\n0.000000 2.726078 6.622594\nV Ni H O\n4 2 16 20\ndirect\n0.880417 0.896775 0.206886 V\n0.103225 0.119583 0.293114 V\n0.119583 0.103225 0.793114 V\n0.896775 0.880417 0.706886 V\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.438190 0.308755 0.310685 H\n0.691245 0.561810 0.189315 H\n0.561810 0.691245 0.689315 H\n0.308755 0.438190 0.810685 H\n0.657828 0.715868 0.400739 H\n0.284132 0.342172 0.099261 H\n0.342172 0.284132 0.599261 H\n0.715868 0.657828 0.900739 H\n0.672150 0.161319 0.477820 H\n0.838681 0.327850 0.022180 H\n0.327850 0.838681 0.522180 H\n0.161319 0.672150 0.977820 H\n0.339222 0.520723 0.747485 H\n0.479277 0.660778 0.752515 H\n0.660778 0.479277 0.252515 H\n0.520723 0.339222 0.247485 H\n0.885225 0.989182 0.423234 O\n0.010818 0.114775 0.076766 O\n0.114775 0.010818 0.576766 O\n0.989182 0.885225 0.923234 O\n0.995927 0.326619 0.339154 O\n0.673381 0.004073 0.160846 O\n0.004073 0.673381 0.660846 O\n0.326619 0.995927 0.839154 O\n0.209174 0.302542 0.621048 O\n0.697458 0.790826 0.878952 O\n0.790826 0.697458 0.378952 O\n0.302542 0.209174 0.121048 O\n0.681756 0.108098 0.751002 O\n0.891902 0.318244 0.748998 O\n0.318244 0.891902 0.248998 O\n0.108098 0.681756 0.251002 O\n0.409372 0.780623 0.409612 O\n0.219377 0.590628 0.090388 O\n0.590628 0.219377 0.590388 O\n0.780623 0.409372 0.909612 O\n",
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{
"id": "mp-774437",
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"structure_string": "Li20 La12 Nb8 O48\n1.0\n-6.436633 6.461008 6.481619\n6.409767 -6.451532 6.444840\n6.422181 6.436916 -6.472065\nLi La Nb O\n20 12 8 48\ndirect\n0.809625 0.060144 0.110013 Li\n0.428934 0.245653 0.041109 Li\n0.800133 0.246924 0.692678 Li\n0.703888 0.395640 0.451549 Li\n0.888995 0.180402 0.925326 Li\n0.607954 0.530403 0.284967 Li\n0.248949 0.045713 0.439894 Li\n0.537792 0.290752 0.616718 Li\n0.966789 0.581088 0.755559 Li\n0.690027 0.799520 0.249334 Li\n0.476878 0.715265 0.388634 Li\n0.017095 0.411798 0.237571 Li\n0.393003 0.443947 0.696921 Li\n0.109539 0.826238 0.090994 Li\n0.061180 0.110358 0.809489 Li\n0.212716 0.743318 0.321896 Li\n0.288108 0.611651 0.534296 Li\n0.569926 0.750853 0.958565 Li\n0.252940 0.685378 0.786825 Li\n0.172715 0.912876 0.890622 Li\n0.749709 0.124219 0.374800 La\n0.378382 0.126845 0.251176 La\n0.879892 0.634497 0.250879 La\n0.250003 0.380176 0.130004 La\n0.623665 0.250178 0.884727 La\n0.125955 0.246977 0.376033 La\n0.868047 0.760394 0.615920 La\n0.369472 0.748825 0.118593 La\n0.755953 0.630014 0.882587 La\n0.125802 0.372840 0.748240 La\n0.623147 0.874075 0.746241 La\n0.249440 0.893938 0.636294 La\n0.505604 0.003145 0.004350 Nb\n0.999346 0.999733 0.004725 Nb\n0.505972 0.000127 0.502936 Nb\n0.493111 0.493579 0.992396 Nb\n0.502125 0.500173 0.504458 Nb\n0.998705 0.005670 0.496874 Nb\n0.997755 0.496661 0.995508 Nb\n0.993632 0.500708 0.494100 Nb\n0.901632 0.025195 0.324846 O\n0.884619 0.404217 0.075937 O\n0.925532 0.305731 0.327345 O\n0.978349 0.672272 0.092775 O\n0.580279 0.169398 0.203771 O\n0.924011 0.124603 0.596315 O\n0.608283 0.419287 0.093913 O\n0.196295 0.112964 0.019195 O\n0.687279 0.674890 0.075552 O\n0.598836 0.179156 0.486344 O\n0.899178 0.389084 0.577283 O\n0.123644 0.028348 0.202308 O\n0.675416 0.088585 0.707308 O\n0.824408 0.535297 0.412938 O\n0.475878 0.382528 0.300257 O\n0.421857 0.095746 0.614196 O\n0.017285 0.198737 0.116403 O\n0.480161 0.595913 0.178443 O\n0.826348 0.796439 0.403212 O\n0.674232 0.083529 0.972347 O\n0.387387 0.300171 0.480562 O\n0.802620 0.416726 0.822865 O\n0.699474 0.525447 0.616176 O\n0.593496 0.913786 0.114432 O\n0.299409 0.471989 0.386332 O\n0.201827 0.584707 0.172195 O\n0.414935 0.088436 0.892799 O\n0.324429 0.904589 0.022013 O\n0.173814 0.199743 0.575380 O\n0.611557 0.694566 0.521781 O\n0.575413 0.902846 0.375551 O\n0.530684 0.412001 0.824528 O\n0.983563 0.803316 0.892747 O\n0.523441 0.614137 0.701019 O\n0.889464 0.986099 0.811047 O\n0.320588 0.917996 0.303798 O\n0.176516 0.489835 0.599097 O\n0.297183 0.327376 0.921834 O\n0.092139 0.614348 0.412614 O\n0.406709 0.819542 0.516172 O\n0.796232 0.884307 0.970154 O\n0.383010 0.581738 0.900134 O\n0.022912 0.320436 0.905746 O\n0.093948 0.889278 0.421596 O\n0.414282 0.826678 0.797923 O\n0.082234 0.703637 0.680874 O\n0.114237 0.586390 0.910032 O\n0.077773 0.970161 0.672309 O\n",
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"formula_full": "Li20 La12 Nb8 O48",
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{
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{
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{
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{
"id": "mp-768678",
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"structure_string": "Li4 Sn8 S12 O48\n1.0\n9.425205 0.000000 0.000000\n0.000000 8.941537 0.000000\n0.000000 8.809751 12.902867\nLi Sn S O\n4 8 12 48\ndirect\n0.778639 0.993387 0.316193 Li\n0.278639 0.006613 0.183807 Li\n0.721361 0.993387 0.816193 Li\n0.221361 0.006613 0.683807 Li\n0.532151 0.371464 0.881559 Sn\n0.956256 0.165001 0.096276 Sn\n0.032151 0.628536 0.618441 Sn\n0.456256 0.834999 0.403724 Sn\n0.543744 0.165001 0.596276 Sn\n0.967849 0.371464 0.381559 Sn\n0.043744 0.834999 0.903724 Sn\n0.467849 0.628536 0.118441 Sn\n0.264818 0.436925 0.012288 S\n0.370867 0.744037 0.659613 S\n0.104918 0.033202 0.354439 S\n0.604918 0.966798 0.145561 S\n0.870867 0.255963 0.840387 S\n0.764818 0.563075 0.487712 S\n0.235182 0.436925 0.512288 S\n0.129133 0.744037 0.159613 S\n0.395082 0.033202 0.854439 S\n0.895082 0.966798 0.645561 S\n0.629133 0.255963 0.340387 S\n0.735182 0.563075 0.987712 S\n0.861416 0.452688 0.044519 O\n0.873723 0.830440 0.619780 O\n0.601990 0.131148 0.307724 O\n0.694808 0.538363 0.903500 O\n0.384236 0.495246 0.936361 O\n0.219627 0.681816 0.689036 O\n0.391069 0.842419 0.545937 O\n0.977649 0.080625 0.287295 O\n0.229731 0.242678 0.060329 O\n0.234535 0.029900 0.300600 O\n0.086696 0.848085 0.451327 O\n0.470674 0.586376 0.712523 O\n0.970674 0.413624 0.787477 O\n0.586696 0.151915 0.048673 O\n0.734535 0.970100 0.199400 O\n0.729731 0.757322 0.439671 O\n0.891069 0.157581 0.954063 O\n0.477649 0.919375 0.212705 O\n0.719627 0.318184 0.810964 O\n0.884236 0.504754 0.563639 O\n0.194808 0.461637 0.596500 O\n0.373723 0.169560 0.880220 O\n0.101990 0.868852 0.192276 O\n0.361416 0.547312 0.455481 O\n0.638584 0.452688 0.544519 O\n0.898010 0.131148 0.807724 O\n0.626277 0.830440 0.119780 O\n0.805192 0.538363 0.403500 O\n0.115764 0.495246 0.436361 O\n0.280373 0.681816 0.189036 O\n0.522351 0.080625 0.787295 O\n0.108931 0.842419 0.045937 O\n0.270269 0.242678 0.560329 O\n0.265465 0.029900 0.800600 O\n0.413304 0.848085 0.951327 O\n0.029326 0.586376 0.212523 O\n0.529326 0.413624 0.287477 O\n0.913304 0.151915 0.548673 O\n0.765465 0.970100 0.699400 O\n0.770269 0.757322 0.939671 O\n0.022351 0.919375 0.712705 O\n0.608931 0.157581 0.454063 O\n0.780373 0.318184 0.310964 O\n0.615764 0.504754 0.063639 O\n0.305192 0.461637 0.096500 O\n0.398010 0.868852 0.692276 O\n0.126277 0.169560 0.380220 O\n0.138584 0.547312 0.955481 O\n",
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}