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{
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{
"id": "mp-1041880",
"created_at": "2022-09-04T14:42:19.676029Z",
"structure_string": "Ca6 Cu6 W12 O42\n1.0\n9.151575 0.000000 0.000000\n0.000000 10.599224 0.000000\n0.000000 1.028944 11.103327\nCa Cu W O\n6 6 12 42\ndirect\n0.439340 0.845510 0.572167 Ca\n0.936817 0.500000 0.750000 Ca\n0.439340 0.154490 0.927833 Ca\n0.063183 0.500000 0.250000 Ca\n0.560660 0.154490 0.427833 Ca\n0.560660 0.845510 0.072167 Ca\n0.933488 0.191464 0.410643 Cu\n0.066512 0.808536 0.589357 Cu\n0.444367 0.500000 0.250000 Cu\n0.933488 0.808536 0.089357 Cu\n0.555633 0.500000 0.750000 Cu\n0.066512 0.191464 0.910643 Cu\n0.207885 0.826501 0.290860 W\n0.760841 0.845124 0.373766 W\n0.239159 0.845124 0.873766 W\n0.792115 0.826501 0.790860 W\n0.295064 0.518998 0.963209 W\n0.760841 0.154876 0.126234 W\n0.704936 0.518998 0.463209 W\n0.239159 0.154876 0.626234 W\n0.295064 0.481002 0.536791 W\n0.704936 0.481002 0.036791 W\n0.792115 0.173499 0.709140 W\n0.207885 0.173499 0.209140 W\n0.767400 0.798063 0.954998 O\n0.767959 0.156235 0.292042 O\n0.847650 0.000000 0.750000 O\n0.878395 0.492216 0.107474 O\n0.394144 0.060429 0.564138 O\n0.926616 0.722891 0.719229 O\n0.352289 0.688671 0.939024 O\n0.121605 0.492216 0.607474 O\n0.725310 0.524670 0.875278 O\n0.394144 0.939571 0.935862 O\n0.725310 0.475330 0.624722 O\n0.427564 0.421936 0.890715 O\n0.928060 0.135140 0.042349 O\n0.073384 0.722891 0.219229 O\n0.647711 0.311329 0.060976 O\n0.352289 0.311329 0.560976 O\n0.926616 0.277109 0.780771 O\n0.605856 0.939571 0.435862 O\n0.232600 0.798063 0.454998 O\n0.572436 0.578064 0.109285 O\n0.380109 0.195592 0.284260 O\n0.274690 0.475330 0.124722 O\n0.071940 0.135140 0.542349 O\n0.274690 0.524670 0.375278 O\n0.878395 0.507784 0.392526 O\n0.572436 0.421936 0.390715 O\n0.121605 0.507784 0.892526 O\n0.619891 0.195592 0.784260 O\n0.619891 0.804408 0.715740 O\n0.071940 0.864860 0.957651 O\n0.073384 0.277109 0.280771 O\n0.767400 0.201937 0.545002 O\n0.152350 0.000000 0.250000 O\n0.232041 0.156235 0.792042 O\n0.605856 0.060429 0.064138 O\n0.928060 0.864860 0.457651 O\n0.232600 0.201937 0.045002 O\n0.767959 0.843765 0.207958 O\n0.427564 0.578064 0.609285 O\n0.647711 0.688671 0.439024 O\n0.232041 0.843765 0.707958 O\n0.380109 0.804408 0.215740 O\n",
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"spacegroup": 13
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{
"id": "mp-1194386",
"created_at": "2022-09-04T14:42:19.676979Z",
"structure_string": "Yb4 Sb8 S16\n1.0\n3.954646 0.000000 0.000000\n0.000000 11.543313 0.000000\n0.000000 0.000000 14.245570\nYb Sb S\n4 8 16\ndirect\n0.250000 0.265140 0.349032 Yb\n0.250000 0.765140 0.150968 Yb\n0.750000 0.734860 0.650968 Yb\n0.750000 0.234860 0.849032 Yb\n0.250000 0.067689 0.609653 Sb\n0.250000 0.567689 0.890347 Sb\n0.750000 0.932311 0.390347 Sb\n0.750000 0.432311 0.109653 Sb\n0.250000 0.114493 0.088958 Sb\n0.250000 0.614493 0.411042 Sb\n0.750000 0.885507 0.911042 Sb\n0.750000 0.385507 0.588958 Sb\n0.250000 0.312492 0.986816 S\n0.250000 0.812492 0.513184 S\n0.750000 0.687508 0.013184 S\n0.750000 0.187508 0.486816 S\n0.250000 0.253871 0.701727 S\n0.250000 0.753871 0.798273 S\n0.750000 0.746129 0.298273 S\n0.750000 0.246129 0.201727 S\n0.250000 0.055713 0.909920 S\n0.250000 0.555713 0.590080 S\n0.750000 0.944287 0.090080 S\n0.750000 0.444287 0.409920 S\n0.250000 0.017888 0.291343 S\n0.250000 0.517888 0.208657 S\n0.750000 0.982112 0.708657 S\n0.750000 0.482112 0.791343 S\n",
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{
"id": "mp-1180754",
"created_at": "2022-09-04T14:42:19.690702Z",
"structure_string": "Na12 Sr16 Cr20 F104\n1.0\n7.518051 0.001429 1.027876\n3.729250 10.159763 0.746891\n0.007584 -0.002352 28.079017\nNa Sr Cr F\n12 16 20 104\ndirect\n0.889465 0.373718 0.373746 Na\n0.995848 0.752110 0.750779 Na\n0.248064 0.505239 0.501995 Na\n0.129609 0.127272 0.126651 Na\n0.121449 0.627157 0.626116 Na\n0.869165 0.871400 0.873584 Na\n0.499330 0.749893 0.749487 Na\n0.755825 0.993390 0.996752 Na\n0.496838 0.249451 0.250996 Na\n0.250884 0.002225 0.003231 Na\n0.755367 0.497428 0.498507 Na\n0.007006 0.249929 0.250009 Na\n0.983565 0.364614 0.746339 Sr\n0.014413 0.636035 0.253827 Sr\n0.401771 0.862116 0.245840 Sr\n0.578726 0.239543 0.593189 Sr\n0.597294 0.136645 0.752964 Sr\n0.294628 0.473184 0.849723 Sr\n0.683463 0.634193 0.993885 Sr\n0.121597 0.025270 0.650262 Sr\n0.186306 0.134993 0.493484 Sr\n0.813492 0.866717 0.506339 Sr\n0.703152 0.526276 0.150547 Sr\n0.090023 0.739004 0.093235 Sr\n0.914277 0.257366 0.906556 Sr\n0.880439 0.974345 0.349752 Sr\n0.313351 0.365314 0.006376 Sr\n0.419338 0.761653 0.406574 Sr\n0.401788 0.467477 0.720309 Cr\n0.636809 0.612497 0.612926 Cr\n0.597302 0.532186 0.279776 Cr\n0.070436 0.330583 0.600999 Cr\n0.129307 0.699379 0.965653 Cr\n0.710114 0.912946 0.656968 Cr\n0.706906 0.199534 0.465652 Cr\n0.638636 0.112311 0.112437 Cr\n0.504729 0.166587 0.898923 Cr\n0.497949 0.831897 0.100220 Cr\n0.868537 0.301837 0.034786 Cr\n0.219479 0.412701 0.156779 Cr\n0.360673 0.887298 0.887108 Cr\n0.365202 0.387633 0.386985 Cr\n0.905500 0.967414 0.220611 Cr\n0.777519 0.587087 0.843133 Cr\n0.929998 0.667882 0.399899 Cr\n0.290984 0.087718 0.342760 Cr\n0.092870 0.031980 0.779365 Cr\n0.296444 0.801935 0.534236 Cr\n0.674804 0.393704 0.232179 F\n0.396970 0.526970 0.417680 F\n0.939038 0.139800 0.731604 F\n0.758710 0.728622 0.107737 F\n0.984601 0.421651 0.834151 F\n0.972123 0.668981 0.840629 F\n0.236078 0.925538 0.090472 F\n0.855539 0.462228 0.297153 F\n0.308766 0.359344 0.768182 F\n0.530673 0.111121 0.487963 F\n0.393114 0.737752 0.597425 F\n0.220799 0.765454 0.902129 F\n0.771340 0.548013 0.910985 F\n0.766359 0.073109 0.908647 F\n0.267486 0.049625 0.410654 F\n0.022976 0.331782 0.160289 F\n0.721318 0.882558 0.242162 F\n0.419571 0.239346 0.151074 F\n0.122208 0.508767 0.368780 F\n0.094864 0.771541 0.392409 F\n0.722418 0.823776 0.422578 F\n0.249419 0.423276 0.591602 F\n0.024359 0.624126 0.021575 F\n0.324347 0.604889 0.768430 F\n0.562136 0.225898 0.833633 F\n0.348755 0.613821 0.258510 F\n0.242794 0.268365 0.891583 F\n0.024973 0.368424 0.534880 F\n0.841928 0.972824 0.082061 F\n0.395829 0.501601 0.158108 F\n0.520752 0.163149 0.055735 F\n0.227091 0.451905 0.088923 F\n0.168680 0.539248 0.932373 F\n0.317617 0.259724 0.347469 F\n0.155888 0.026501 0.916712 F\n0.125428 0.215579 0.050663 F\n0.474200 0.889191 0.513301 F\n0.144434 0.540977 0.702862 F\n0.760287 0.662143 0.555897 F\n0.751208 0.575232 0.409632 F\n0.017858 0.171422 0.338802 F\n0.609796 0.264143 0.402487 F\n0.795430 0.610110 0.772361 F\n0.203238 0.389825 0.227448 F\n0.681588 0.741443 0.652368 F\n0.896882 0.282103 0.448878 F\n0.732255 0.952530 0.589079 F\n0.827307 0.463535 0.067309 F\n0.498112 0.991824 0.130526 F\n0.744390 0.077733 0.666058 F\n0.878119 0.490699 0.631518 F\n0.979964 0.626776 0.465629 F\n0.106004 0.719173 0.550705 F\n0.170831 0.877823 0.478473 F\n0.978395 0.375991 0.979173 F\n0.504892 0.005695 0.868728 F\n0.601103 0.473970 0.582909 F\n0.251123 0.916608 0.825048 F\n0.522446 0.677701 0.322289 F\n0.144277 0.962775 0.567149 F\n0.890626 0.958891 0.796677 F\n0.574746 0.758636 0.848131 F\n0.554426 0.347905 0.504854 F\n0.557262 0.999752 0.342004 F\n0.372421 0.611070 0.987174 F\n0.749139 0.083751 0.174527 F\n0.058337 0.861388 0.268966 F\n0.098534 0.846960 0.004652 F\n0.446822 0.652934 0.495153 F\n0.904725 0.227773 0.608248 F\n0.279070 0.174444 0.579334 F\n0.871201 0.783818 0.950242 F\n0.013809 0.578640 0.165810 F\n0.833860 0.125355 0.521373 F\n0.473624 0.322106 0.677799 F\n0.983194 0.829099 0.660154 F\n0.325477 0.106227 0.271963 F\n0.256229 0.922900 0.334116 F\n0.900294 0.153963 0.995700 F\n0.437578 0.771315 0.165129 F\n0.026157 0.822431 0.178179 F\n0.120925 0.271006 0.666323 F\n0.776711 0.235497 0.097990 F\n0.877331 0.728136 0.334879 F\n0.649364 0.387446 0.741922 F\n0.572246 0.870624 0.034162 F\n0.533542 0.323692 0.920404 F\n0.510034 0.415369 0.325061 F\n0.109448 0.038973 0.203029 F\n0.624091 0.390476 0.013817 F\n0.280317 0.113123 0.757496 F\n0.242467 0.335258 0.443499 F\n0.474422 0.838480 0.944512 F\n0.430662 0.130113 0.965200 F\n0.443756 0.001952 0.658358 F\n0.974160 0.177534 0.821665 F\n0.795753 0.105426 0.268377 F\n0.597796 0.501709 0.841359 F\n0.678916 0.892029 0.727685 F\n0.467550 0.676358 0.077936 F\n0.488393 0.583481 0.674273 F\n0.691084 0.638293 0.231324 F\n0.202638 0.892940 0.731775 F\n0.860969 0.038959 0.432641 F\n",
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"formula_full": "Na12 Sr16 Cr20 F104",
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{
"id": "mp-608311",
"created_at": "2022-09-04T14:42:19.807597Z",
"structure_string": "Cs2 Li3 I5\n1.0\n4.637473 -0.000522 1.040052\n1.678626 7.994630 3.368076\n-0.019559 0.071541 10.936552\nCs Li I\n2 3 5\ndirect\n0.681250 0.859411 0.772938 Cs\n0.314040 0.145019 0.226813 Cs\n0.046024 0.695052 0.205871 Li\n0.507874 0.500398 0.497406 Li\n0.943674 0.311751 0.793872 Li\n0.356748 0.477119 0.803558 I\n0.098476 0.243068 0.561794 I\n0.896980 0.763865 0.437688 I\n0.634039 0.527169 0.199361 I\n0.998076 0.002595 0.999532 I\n",
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{
"id": "mp-754193",
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"structure_string": "Li6 Ti2 Cr6 O16\n1.0\n0.000462 -3.087682 5.054457\n-3.358900 8.295733 5.068332\n-5.225182 -1.540528 2.529325\nLi Ti Cr O\n6 2 6 16\ndirect\n0.500098 0.999837 0.500295 Li\n0.000099 0.499838 0.500285 Li\n0.249923 0.249998 0.499995 Li\n0.749925 0.750006 0.500000 Li\n0.000390 0.000164 0.499698 Li\n0.500381 0.500163 0.499710 Li\n0.001595 0.000004 0.999999 Ti\n0.501483 0.499998 0.000005 Ti\n0.748131 0.750779 0.001098 Cr\n0.001569 0.500000 0.999984 Cr\n0.749244 0.249224 0.998940 Cr\n0.248224 0.250771 0.001085 Cr\n0.501476 0.999991 0.000018 Cr\n0.249308 0.749244 0.998919 Cr\n0.387001 0.129331 0.223070 O\n0.886973 0.629314 0.223092 O\n0.610033 0.870660 0.776936 O\n0.110017 0.370681 0.776915 O\n0.135596 0.882966 0.214645 O\n0.635579 0.382972 0.214666 O\n0.891025 0.125069 0.216440 O\n0.391047 0.625065 0.216417 O\n0.650257 0.883584 0.217360 O\n0.150217 0.383600 0.217352 O\n0.867574 0.116413 0.782635 O\n0.367536 0.616402 0.782636 O\n0.107437 0.874929 0.783553 O\n0.607428 0.374934 0.783572 O\n0.350214 0.117031 0.785347 O\n0.850217 0.617031 0.785332 O\n",
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"formula_full": "Li6 Ti2 Cr6 O16",
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{
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"structure_string": "Mg2 Sc2 Ti2 S8\n1.0\n6.518178 0.000093 3.763249\n2.168778 6.037898 3.770232\n0.044284 0.040090 7.449795\nMg Sc Ti S\n2 2 2 8\ndirect\n0.876227 0.873514 0.874013 Mg\n0.123776 0.126489 0.125994 Mg\n0.499985 0.500005 0.499953 Sc\n0.000006 0.499910 0.500046 Sc\n0.500008 0.500008 0.999995 Ti\n0.499990 0.000011 0.500027 Ti\n0.731923 0.746175 0.745905 S\n0.263985 0.248155 0.723934 S\n0.263765 0.724424 0.248035 S\n0.724010 0.253841 0.254102 S\n0.736205 0.275589 0.751967 S\n0.275990 0.746179 0.745897 S\n0.268073 0.253827 0.254102 S\n0.736063 0.751869 0.276032 S\n",
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"formula_full": "Mg2 Sc2 Ti2 S8",
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{
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