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{
"id": "mp-673643",
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"structure_string": "Ce17 O32\n1.0\n21.747143 -0.062794 62.622706\n12.369433 3.140048 39.042724\n0.017098 -0.007780 10.308415\nCe O\n17 32\ndirect\n0.989118 0.021212 0.986817 Ce\n0.062285 0.979890 0.060902 Ce\n0.107374 0.015401 0.998472 Ce\n0.190479 0.978143 0.982223 Ce\n0.245714 0.987553 0.992585 Ce\n0.283698 0.012447 0.007415 Ce\n0.338933 0.021857 0.017777 Ce\n0.422038 0.984599 0.001528 Ce\n0.467127 0.020110 0.939098 Ce\n0.540294 0.978788 0.013183 Ce\n0.565603 0.044874 0.965077 Ce\n0.642510 0.009842 0.992644 Ce\n0.707949 0.997185 0.997129 Ce\n0.764706 0.000000 0.000000 Ce\n0.821462 0.002815 0.002871 Ce\n0.886902 0.990158 0.007356 Ce\n0.963808 0.955126 0.034923 Ce\n0.069865 0.257723 0.242414 O\n0.166638 0.206362 0.198905 O\n0.194867 0.245996 0.249362 O\n0.284471 0.191454 0.278936 O\n0.329054 0.200319 0.299707 O\n0.372656 0.243346 0.245116 O\n0.033677 0.771990 0.722360 O\n0.411663 0.285028 0.210959 O\n0.117749 0.714972 0.789041 O\n0.495735 0.228010 0.277640 O\n0.156756 0.756654 0.754884 O\n0.527871 0.278317 0.231690 O\n0.200358 0.799681 0.700293 O\n0.607743 0.239930 0.250434 O\n0.667815 0.238894 0.258888 O\n0.244941 0.808546 0.721064 O\n0.334544 0.754004 0.750638 O\n0.705885 0.285184 0.221955 O\n0.362774 0.793638 0.801095 O\n0.742877 0.310997 0.225268 O\n0.839459 0.245165 0.265786 O\n0.459546 0.742277 0.757586 O\n0.861592 0.291719 0.311105 O\n0.955075 0.250755 0.245917 O\n0.574336 0.749245 0.754083 O\n0.667820 0.708281 0.688895 O\n0.689952 0.754835 0.734214 O\n0.786535 0.689003 0.774732 O\n0.823527 0.714816 0.778045 O\n0.861597 0.761106 0.741112 O\n0.921669 0.760070 0.749566 O\n0.001541 0.721683 0.768310 O\n",
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"formula_full": "Ce17 O32",
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{
"id": "mp-684696",
"created_at": "2022-09-04T14:43:10.808982Z",
"structure_string": "Ba1 Na4 Ti2 Si10 B2 O30\n1.0\n7.567584 0.000000 0.000000\n0.888966 9.714366 0.000000\n0.699164 4.391219 8.689631\nBa Na Ti Si B O\n1 4 2 10 2 30\ndirect\n0.000000 0.000000 0.000000 Ba\n0.426657 0.734692 0.064343 Na\n0.435900 0.265566 0.384784 Na\n0.564100 0.734434 0.615216 Na\n0.573343 0.265308 0.935657 Na\n0.574811 0.893189 0.270380 Ti\n0.425189 0.106811 0.729620 Ti\n0.816247 0.398329 0.164105 Si\n0.896524 0.410597 0.647144 Si\n0.828340 0.055003 0.293692 Si\n0.773518 0.098424 0.687304 Si\n0.714491 0.622763 0.299682 Si\n0.285509 0.377237 0.700318 Si\n0.226482 0.901576 0.312696 Si\n0.171660 0.944997 0.706308 Si\n0.103476 0.589403 0.352856 Si\n0.183753 0.601671 0.835895 Si\n0.860142 0.457819 0.855463 B\n0.139858 0.542181 0.144537 B\n0.020774 0.427663 0.162061 O\n0.953912 0.976087 0.732212 O\n0.886101 0.549059 0.419089 O\n0.740779 0.900611 0.419508 O\n0.846835 0.271133 0.611079 O\n0.791841 0.219862 0.300545 O\n0.755959 0.519169 0.704711 O\n0.947037 0.320815 0.840395 O\n0.746931 0.418424 0.998583 O\n0.680423 0.503488 0.227616 O\n0.649390 0.074250 0.843237 O\n0.713478 0.076228 0.145839 O\n0.720596 0.797254 0.156596 O\n0.557793 0.665923 0.399783 O\n0.619394 0.072424 0.595471 O\n0.380606 0.927576 0.404529 O\n0.442207 0.334077 0.600217 O\n0.279404 0.202746 0.843404 O\n0.286522 0.923772 0.854161 O\n0.350610 0.925750 0.156763 O\n0.319577 0.496512 0.772384 O\n0.253069 0.581576 0.001417 O\n0.052963 0.679185 0.159605 O\n0.244041 0.480831 0.295289 O\n0.208159 0.780138 0.699455 O\n0.153165 0.728867 0.388921 O\n0.259221 0.099389 0.580492 O\n0.113899 0.450941 0.580911 O\n0.046088 0.023913 0.267788 O\n0.979226 0.572337 0.837939 O\n",
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"elements": [
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"formula_full": "Ba1 Na4 Ti2 Si10 B2 O30",
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"spacegroup": 2
},
{
"id": "mp-767715",
"created_at": "2022-09-04T14:43:18.065937Z",
"structure_string": "Li34 Sb9 S6\n1.0\n-4.949373 4.949373 9.382660\n4.949373 -4.949373 9.382660\n4.949373 4.949373 -9.382660\nLi Sb S\n34 9 6\ndirect\n0.718235 0.152319 0.870554 Li\n0.054791 0.345065 0.148500 Li\n0.152319 0.281765 0.434084 Li\n0.487102 0.357923 0.692999 Li\n0.656028 0.549459 0.726116 Li\n0.929912 0.656028 0.106568 Li\n0.794103 0.487102 0.129179 Li\n0.654935 0.803436 0.709726 Li\n0.073821 0.573821 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.426179 0.926179 0.500000 Li\n0.093710 0.945209 0.290274 Li\n0.357923 0.664924 0.870821 Li\n0.549459 0.823344 0.893432 Li\n0.823344 0.929912 0.273884 Li\n0.803436 0.093710 0.148500 Li\n0.664924 0.794103 0.307001 Li\n0.847681 0.718235 0.565916 Li\n0.335076 0.205897 0.692999 Li\n0.196564 0.906290 0.851500 Li\n0.176656 0.070088 0.726116 Li\n0.281765 0.847681 0.129446 Li\n0.450541 0.176656 0.106568 Li\n0.642077 0.335076 0.129179 Li\n0.906290 0.054791 0.709726 Li\n0.750000 0.250000 0.500000 Li\n0.926179 0.426179 0.500000 Li\n0.573821 0.073821 0.500000 Li\n0.345065 0.196564 0.290274 Li\n0.205897 0.512898 0.870821 Li\n0.070088 0.343972 0.893432 Li\n0.343972 0.450541 0.273884 Li\n0.512898 0.642077 0.307001 Li\n0.945209 0.654935 0.851500 Li\n0.785599 0.347981 0.819551 Sb\n0.347981 0.528430 0.562383 Sb\n0.500000 0.500000 0.000000 Sb\n0.966048 0.785599 0.437617 Sb\n0.471570 0.033952 0.819551 Sb\n0.528430 0.966048 0.180449 Sb\n0.033952 0.214401 0.562383 Sb\n0.652019 0.471570 0.437617 Sb\n0.214401 0.652019 0.180449 Sb\n0.315233 0.101780 0.417013 S\n0.898220 0.315233 0.213453 S\n0.816484 0.816484 0.000000 S\n0.101780 0.684767 0.786547 S\n0.684767 0.898220 0.582987 S\n0.183516 0.183516 0.000000 S\n",
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"volume": 919.3615574127108,
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"formula_full": "Li34 Sb9 S6",
"formula_reduced": "Li34(Sb3S2)3",
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"spacegroup": 87
},
{
"id": "mp-773026",
"created_at": "2022-09-04T14:43:34.172818Z",
"structure_string": "Ti12 Fe5 O32\n1.0\n5.964928 -5.974273 0.000000\n5.964928 5.974273 0.000000\n-0.018705 0.000000 8.442272\nTi Fe O\n12 5 32\ndirect\n0.850217 0.884376 0.381012 Ti\n0.122053 0.863448 0.634527 Ti\n0.381012 0.850217 0.884376 Ti\n0.863448 0.634527 0.122053 Ti\n0.615304 0.631747 0.355486 Ti\n0.355486 0.615304 0.631747 Ti\n0.145342 0.390252 0.129832 Ti\n0.884376 0.381012 0.850217 Ti\n0.631747 0.355486 0.615304 Ti\n0.129832 0.145342 0.390252 Ti\n0.390252 0.129832 0.145342 Ti\n0.634527 0.122053 0.863448 Ti\n0.244709 0.756427 0.260157 Fe\n0.740943 0.740943 0.740943 Fe\n0.756427 0.260157 0.244709 Fe\n0.260157 0.244709 0.756427 Fe\n0.005009 0.005009 0.005009 Fe\n0.612358 0.886264 0.859076 O\n0.112336 0.888351 0.393727 O\n0.351767 0.887782 0.109640 O\n0.886264 0.859076 0.612358 O\n0.134603 0.892854 0.860231 O\n0.641431 0.858002 0.381145 O\n0.351715 0.854991 0.650465 O\n0.892854 0.860231 0.134603 O\n0.381145 0.641431 0.858002 O\n0.854991 0.650465 0.351715 O\n0.141959 0.643656 0.619321 O\n0.643656 0.619321 0.141959 O\n0.388279 0.643438 0.391197 O\n0.859076 0.612358 0.886264 O\n0.610621 0.610621 0.610621 O\n0.114603 0.613198 0.141680 O\n0.391197 0.388279 0.643438 O\n0.888351 0.393727 0.112336 O\n0.643438 0.391197 0.388279 O\n0.109640 0.351767 0.887782 O\n0.858002 0.381145 0.641431 O\n0.353776 0.349775 0.119083 O\n0.650465 0.351715 0.854991 O\n0.119083 0.353776 0.349775 O\n0.619321 0.141959 0.643656 O\n0.134408 0.134408 0.134408 O\n0.860231 0.134603 0.892854 O\n0.349775 0.119083 0.353776 O\n0.613198 0.141680 0.114603 O\n0.141680 0.114603 0.613198 O\n0.393727 0.112336 0.888351 O\n0.887782 0.109640 0.351767 O\n",
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"formula_full": "Ti12 Fe5 O32",
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{
"id": "mp-1044157",
"created_at": "2022-09-04T14:43:54.144773Z",
"structure_string": "Y4 Si2 Sn13 Sb2 O28\n1.0\n13.785738 3.145336 0.000000\n-13.785738 3.145336 0.000000\n0.000000 2.427880 9.500541\nY Si Sn Sb O\n4 2 13 2 28\ndirect\n0.057387 0.476497 0.643440 Y\n0.523503 0.942613 0.356560 Y\n0.942613 0.523503 0.356560 Y\n0.476497 0.057387 0.643440 Y\n0.169326 0.169326 0.285940 Si\n0.830674 0.830674 0.714060 Si\n0.883148 0.625632 0.659201 Sn\n0.657576 0.802099 0.335467 Sn\n0.374368 0.116852 0.340799 Sn\n0.116852 0.374368 0.340799 Sn\n0.342424 0.197901 0.664533 Sn\n0.299574 0.700426 0.000000 Sn\n0.197901 0.342424 0.664533 Sn\n0.000000 0.000000 0.000000 Sn\n0.430312 0.569688 0.000000 Sn\n0.802099 0.657576 0.335467 Sn\n0.625632 0.883148 0.659201 Sn\n0.569688 0.430312 0.000000 Sn\n0.700426 0.299574 0.000000 Sn\n0.856718 0.143282 0.000000 Sb\n0.143282 0.856718 0.000000 Sb\n0.761600 0.037693 0.385714 O\n0.161530 0.606913 0.388751 O\n0.913196 0.913196 0.264557 O\n0.332634 0.332634 0.122936 O\n0.838470 0.393087 0.611249 O\n0.238400 0.962307 0.614286 O\n0.995734 0.612932 0.124823 O\n0.004266 0.387068 0.875177 O\n0.667366 0.667366 0.877064 O\n0.084549 0.256247 0.887052 O\n0.146451 0.248172 0.363301 O\n0.962307 0.238400 0.614286 O\n0.387068 0.004266 0.875177 O\n0.743753 0.915451 0.112948 O\n0.751828 0.853549 0.636699 O\n0.086804 0.086804 0.735443 O\n0.256247 0.084549 0.887052 O\n0.915451 0.743753 0.112948 O\n0.612932 0.995734 0.124823 O\n0.097695 0.386635 0.110889 O\n0.902305 0.613365 0.889111 O\n0.248172 0.146451 0.363301 O\n0.386635 0.097695 0.110889 O\n0.606913 0.161530 0.388751 O\n0.853549 0.751828 0.636699 O\n0.613365 0.902305 0.889111 O\n0.037693 0.761600 0.385714 O\n0.393087 0.838470 0.611249 O\n",
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"formula_full": "Y4 Si2 Sn13 Sb2 O28",
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{
"id": "mp-676252",
"created_at": "2022-09-04T14:43:34.254561Z",
"structure_string": "Li9 Ru10 O30\n1.0\n7.980283 0.000000 0.000000\n3.528952 8.484667 0.000000\n2.528458 0.572035 9.215837\nLi Ru O\n9 10 30\ndirect\n0.596819 0.700952 0.601755 Li\n0.195702 0.901304 0.205191 Li\n0.804298 0.098696 0.794809 Li\n0.403181 0.299048 0.398245 Li\n0.702721 0.898580 0.201493 Li\n0.000000 0.500000 0.000000 Li\n0.297279 0.101420 0.798507 Li\n0.898460 0.303233 0.400246 Li\n0.101540 0.696767 0.599754 Li\n0.783626 0.770846 0.809841 Ru\n0.387326 0.966663 0.411272 Ru\n0.016902 0.831277 0.987141 Ru\n0.983098 0.168723 0.012859 Ru\n0.612674 0.033337 0.588728 Ru\n0.581116 0.373764 0.611748 Ru\n0.216374 0.229154 0.190159 Ru\n0.206233 0.565266 0.193908 Ru\n0.793767 0.434734 0.806092 Ru\n0.418884 0.626236 0.388252 Ru\n0.798513 0.819645 0.599248 O\n0.995451 0.844901 0.785841 O\n0.231659 0.841518 0.431520 O\n0.573125 0.753190 0.374169 O\n0.399881 0.014819 0.200918 O\n0.597887 0.043481 0.386698 O\n0.802040 0.761337 0.011493 O\n0.011629 0.778162 0.196727 O\n0.827319 0.043412 0.037563 O\n0.172681 0.956588 0.962437 O\n0.988371 0.221838 0.803273 O\n0.197960 0.238663 0.988507 O\n0.402113 0.956519 0.613302 O\n0.600119 0.985181 0.799082 O\n0.426875 0.246810 0.625831 O\n0.768341 0.158482 0.568480 O\n0.610175 0.417120 0.395291 O\n0.783933 0.450303 0.598155 O\n0.004549 0.155099 0.214159 O\n0.201487 0.180355 0.400752 O\n0.037337 0.445564 0.225451 O\n0.374575 0.348316 0.166610 O\n0.196349 0.621631 0.991570 O\n0.398995 0.646510 0.190186 O\n0.601005 0.353490 0.809814 O\n0.803651 0.378369 0.008430 O\n0.625425 0.651684 0.833390 O\n0.962663 0.554436 0.774549 O\n0.216067 0.549697 0.401845 O\n0.389825 0.582880 0.604709 O\n",
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"formula_full": "Li9 Ru10 O30",
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{
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