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{
"id": "mp-726170",
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"structure_string": "Rb4 F12\n1.0\n6.887774 0.000000 0.000000\n0.000000 4.642842 0.000000\n0.000000 0.183015 9.661707\nRb F\n4 12\ndirect\n0.232247 0.071299 0.370725 Rb\n0.263071 0.396674 0.876109 Rb\n0.732247 0.928701 0.629275 Rb\n0.763071 0.603326 0.123891 Rb\n0.042905 0.036050 0.071969 F\n0.462677 0.479847 0.590261 F\n0.542905 0.963950 0.928031 F\n0.962677 0.520153 0.409739 F\n0.633236 0.982431 0.331906 F\n0.863088 0.508899 0.830011 F\n0.133236 0.017569 0.668094 F\n0.363088 0.491101 0.169989 F\n0.202014 0.762060 0.119429 F\n0.299550 0.750258 0.629233 F\n0.702014 0.237940 0.880571 F\n0.799550 0.249742 0.370767 F\n",
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{
"id": "mp-18933",
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"structure_string": "Li16 W8 O32\n1.0\n-6.114306 6.114306 4.247616\n6.114306 -6.114306 4.247616\n6.114306 6.114306 -4.247616\nLi W O\n16 8 32\ndirect\n0.490248 0.375000 0.615248 Li\n0.125000 0.240248 0.615248 Li\n0.625000 0.509752 0.384752 Li\n0.759752 0.875000 0.384752 Li\n0.759752 0.375000 0.884752 Li\n0.125000 0.509752 0.884752 Li\n0.625000 0.240248 0.115248 Li\n0.490248 0.875000 0.115248 Li\n0.869446 0.130554 0.000000 Li\n0.380554 0.880554 0.761109 Li\n0.130554 0.130554 0.261109 Li\n0.119446 0.880554 0.500000 Li\n0.380554 0.619446 0.500000 Li\n0.869446 0.869446 0.738891 Li\n0.119446 0.619446 0.238891 Li\n0.130554 0.869446 0.000000 Li\n0.900504 0.536313 0.635809 W\n0.900504 0.264694 0.364191 W\n0.514694 0.650504 0.864191 W\n0.786313 0.650504 0.135809 W\n0.349496 0.485306 0.135809 W\n0.463687 0.099496 0.364191 W\n0.735306 0.099496 0.635809 W\n0.349496 0.213687 0.864191 W\n0.112003 0.735047 0.623044 O\n0.966864 0.360252 0.606612 O\n0.753641 0.360252 0.393388 O\n0.610252 0.716864 0.106612 O\n0.496359 0.389748 0.106612 O\n0.283136 0.389748 0.893388 O\n0.639748 0.033136 0.393388 O\n0.610252 0.503641 0.893388 O\n0.495743 0.150523 0.885578 O\n0.860165 0.245743 0.845221 O\n0.400523 0.014945 0.154779 O\n0.264945 0.610165 0.114422 O\n0.849477 0.504257 0.114422 O\n0.389835 0.735055 0.885578 O\n0.754257 0.139835 0.154779 O\n0.985055 0.599477 0.845221 O\n0.754257 0.599477 0.614422 O\n0.389835 0.504257 0.654779 O\n0.849477 0.735055 0.345221 O\n0.985055 0.139835 0.385578 O\n0.400523 0.245743 0.385578 O\n0.860165 0.014945 0.614422 O\n0.495743 0.610165 0.345221 O\n0.264945 0.150522 0.654779 O\n0.738959 0.862003 0.876956 O\n0.985047 0.862003 0.123044 O\n0.137997 0.261041 0.123044 O\n0.264953 0.887997 0.376956 O\n0.511041 0.887997 0.623044 O\n0.137997 0.014953 0.876956 O\n0.639748 0.246359 0.606612 O\n0.112003 0.488959 0.376956 O\n",
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"elements": [
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"formula_full": "Li16 W8 O32",
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"spacegroup": 141
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{
"id": "mp-1226578",
"created_at": "2022-09-04T14:45:14.313761Z",
"structure_string": "Cr19 S30\n1.0\n8.881197 0.000000 0.000000\n4.043911 9.565487 0.000000\n3.216613 0.510522 10.191677\nCr S\n19 30\ndirect\n0.285155 0.265719 0.315483 Cr\n0.702142 0.065581 0.697444 Cr\n0.879956 0.470821 0.912514 Cr\n0.475147 0.672272 0.509841 Cr\n0.080768 0.875093 0.114113 Cr\n0.297858 0.934419 0.302556 Cr\n0.714845 0.734281 0.684517 Cr\n0.919232 0.124907 0.885887 Cr\n0.524853 0.327728 0.490159 Cr\n0.120044 0.529179 0.087486 Cr\n0.500000 0.000000 0.500000 Cr\n0.900750 0.803799 0.899995 Cr\n0.099250 0.196201 0.100005 Cr\n0.696842 0.400180 0.698158 Cr\n0.303158 0.599820 0.301842 Cr\n0.199309 0.400455 0.698805 Cr\n0.403399 0.798742 0.900191 Cr\n0.596601 0.201258 0.099809 Cr\n0.800691 0.599545 0.301195 Cr\n0.420413 0.492447 0.661651 S\n0.625140 0.891927 0.858969 S\n0.822300 0.290936 0.062314 S\n0.026910 0.689847 0.260393 S\n0.226044 0.091410 0.462580 S\n0.422215 0.172278 0.657324 S\n0.617526 0.571795 0.858520 S\n0.818416 0.972822 0.058887 S\n0.024093 0.370619 0.255369 S\n0.218040 0.769156 0.456233 S\n0.229724 0.431804 0.466714 S\n0.426044 0.833154 0.665587 S\n0.631868 0.229793 0.864649 S\n0.832137 0.632033 0.067230 S\n0.028101 0.035385 0.264218 S\n0.973090 0.310153 0.739607 S\n0.177700 0.709064 0.937686 S\n0.374860 0.108073 0.141031 S\n0.579587 0.507553 0.338349 S\n0.773956 0.908590 0.537420 S\n0.975907 0.629381 0.744631 S\n0.181584 0.027178 0.941113 S\n0.382474 0.428205 0.141480 S\n0.577785 0.827722 0.342676 S\n0.781960 0.230844 0.543767 S\n0.167863 0.367967 0.932770 S\n0.368132 0.770207 0.135351 S\n0.573956 0.166846 0.334413 S\n0.770276 0.568196 0.533286 S\n0.971899 0.964615 0.735782 S\n",
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"elements": [
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"formula_full": "Cr19 S30",
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"spacegroup": 2
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{
"id": "mp-1198693",
"created_at": "2022-09-04T14:45:14.315604Z",
"structure_string": "La4 Nb8 Cu4 Cl4 O28\n1.0\n7.890445 0.000000 0.000000\n0.000000 7.902406 0.000000\n0.000000 0.000000 11.835271\nLa Nb Cu Cl O\n4 8 4 4 28\ndirect\n0.999997 0.237564 0.000000 La\n0.000003 0.762436 0.000000 La\n0.499997 0.262436 0.000000 La\n0.500003 0.737564 0.000000 La\n0.752024 0.499976 0.190523 Nb\n0.247976 0.500024 0.190523 Nb\n0.252024 0.000024 0.809477 Nb\n0.747976 0.999976 0.809477 Nb\n0.247976 0.500024 0.809477 Nb\n0.752024 0.499976 0.809477 Nb\n0.747976 0.999976 0.190523 Nb\n0.252024 0.000024 0.190523 Nb\n0.770756 0.492493 0.500000 Cu\n0.229244 0.507507 0.500000 Cu\n0.270756 0.007507 0.500000 Cu\n0.729244 0.992493 0.500000 Cu\n0.916283 0.229029 0.500000 Cl\n0.083717 0.770971 0.500000 Cl\n0.416283 0.270971 0.500000 Cl\n0.583717 0.729029 0.500000 Cl\n0.000000 0.500000 0.134030 O\n0.500000 0.000000 0.865970 O\n0.000000 0.500000 0.865970 O\n0.500000 0.000000 0.134030 O\n0.500000 0.500000 0.183919 O\n0.000000 0.000000 0.816081 O\n0.500000 0.500000 0.816081 O\n0.000000 0.000000 0.183919 O\n0.749802 0.249915 0.152355 O\n0.250198 0.750085 0.152355 O\n0.249802 0.250085 0.847645 O\n0.750198 0.749915 0.847645 O\n0.250198 0.750085 0.847645 O\n0.749802 0.249915 0.847645 O\n0.750198 0.749915 0.152355 O\n0.249802 0.250085 0.152355 O\n0.699508 0.499870 0.000000 O\n0.300492 0.500130 0.000000 O\n0.199508 0.000130 0.000000 O\n0.800492 0.999870 0.000000 O\n0.782001 0.499055 0.342026 O\n0.217999 0.500945 0.342026 O\n0.282001 0.000945 0.657974 O\n0.717999 0.999055 0.657974 O\n0.217999 0.500945 0.657974 O\n0.782001 0.499055 0.657974 O\n0.717999 0.999055 0.342026 O\n0.282001 0.000945 0.342026 O\n",
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"formula_full": "La4 Nb8 Cu4 Cl4 O28",
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{
"id": "mp-1068843",
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"structure_string": "Sm2 Bi1 O2\n1.0\n-1.985889 1.985889 6.943661\n1.985889 -1.985889 6.943661\n1.985889 1.985889 -6.943661\nSm Bi O\n2 1 2\ndirect\n0.666758 0.666758 0.000000 Sm\n0.333242 0.333242 0.000000 Sm\n0.000000 0.000000 0.000000 Bi\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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{
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"structure_string": "Rb2 Dy1 Cu1 Cl6\n1.0\n0.000000 5.205601 5.205601\n5.205601 0.000000 5.205601\n5.205601 5.205601 0.000000\nRb Dy Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Cu\n0.746499 0.253501 0.253501 Cl\n0.253501 0.253501 0.746499 Cl\n0.253501 0.746499 0.746499 Cl\n0.253501 0.746499 0.253501 Cl\n0.746499 0.253501 0.746499 Cl\n0.746499 0.746499 0.253501 Cl\n",
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"energy": -43.12840440000001,
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{
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"structure_string": "La2 Zn1 Hg1\n1.0\n0.000000 3.849658 3.849658\n3.849658 0.000000 3.849658\n3.849658 3.849658 0.000000\nLa Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "mp-560324",
"created_at": "2022-09-04T14:45:14.299201Z",
"structure_string": "Rb6 Hg4 S6 Cl2 O24\n1.0\n10.043796 0.000000 0.000000\n0.000000 8.081490 0.000000\n0.000000 3.651333 9.570639\nRb Hg S Cl O\n6 4 6 2 24\ndirect\n0.750397 0.901811 0.267874 Rb\n0.445912 0.324091 0.301340 Rb\n0.250397 0.098189 0.732126 Rb\n0.945912 0.675909 0.698660 Rb\n0.118430 0.683556 0.131051 Rb\n0.618430 0.316444 0.868949 Rb\n0.572923 0.759854 0.952773 Hg\n0.851354 0.264839 0.500505 Hg\n0.351354 0.735161 0.499495 Hg\n0.072923 0.240146 0.047227 Hg\n0.902963 0.029336 0.891632 S\n0.607915 0.906181 0.608873 S\n0.789904 0.451179 0.140267 S\n0.289904 0.548821 0.859733 S\n0.107915 0.093819 0.391127 S\n0.402963 0.970664 0.108368 S\n0.197311 0.524109 0.479989 Cl\n0.697311 0.475891 0.520011 Cl\n0.758734 0.984408 0.907357 O\n0.483296 0.101110 0.144033 O\n0.344456 0.411840 0.811424 O\n0.365845 0.564504 0.979785 O\n0.948795 0.022283 0.038555 O\n0.448795 0.977717 0.961445 O\n0.744459 0.962174 0.554319 O\n0.279578 0.724156 0.743923 O\n0.616856 0.734755 0.731765 O\n0.534196 0.042370 0.641798 O\n0.983296 0.898890 0.855967 O\n0.922935 0.212223 0.790397 O\n0.865845 0.435496 0.020215 O\n0.145264 0.502868 0.910122 O\n0.244459 0.037826 0.445681 O\n0.539179 0.867133 0.488006 O\n0.039179 0.132867 0.511994 O\n0.116856 0.265245 0.268235 O\n0.645264 0.497132 0.089878 O\n0.258734 0.015592 0.092643 O\n0.422935 0.787777 0.209603 O\n0.034196 0.957630 0.358202 O\n0.779578 0.275844 0.256077 O\n0.844456 0.588160 0.188576 O\n",
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"formula_full": "Rb6 Hg4 S6 Cl2 O24",
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{
"id": "mp-574004",
"created_at": "2022-09-04T14:45:14.373865Z",
"structure_string": "Gd3 Mg3 Ga3\n1.0\n3.681694 -6.376881 0.000000\n3.681694 6.376881 0.000000\n0.000000 0.000000 4.488708\nGd Mg Ga\n3 3 3\ndirect\n0.424845 0.424845 0.000000 Gd\n0.000000 0.575155 0.000000 Gd\n0.575155 0.000000 0.000000 Gd\n0.243707 0.000000 0.500000 Mg\n0.756293 0.756293 0.500000 Mg\n0.000000 0.243707 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n",
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