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{
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{
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"structure_string": "W17 O47\n1.0\n3.787062 0.000000 0.000000\n0.000000 13.170628 0.000000\n0.000000 0.460386 21.232054\nW O\n17 47\ndirect\n0.000000 0.183101 0.273212 W\n0.000000 0.028632 0.607624 W\n0.000000 0.116132 0.965978 W\n0.000000 0.971368 0.392376 W\n0.000000 0.853623 0.876078 W\n0.000000 0.766056 0.561618 W\n0.000000 0.676110 0.394765 W\n0.000000 0.816899 0.726788 W\n0.000000 0.883868 0.034022 W\n0.000000 0.418206 0.169218 W\n0.000000 0.233944 0.438382 W\n0.000000 0.175830 0.743821 W\n0.000000 0.146377 0.123922 W\n0.000000 0.824170 0.256179 W\n0.000000 0.581794 0.830782 W\n0.000000 0.500000 0.500000 W\n0.000000 0.323890 0.605235 W\n0.000000 0.178207 0.588171 O\n0.000000 0.571426 0.911901 O\n0.000000 0.254764 0.950654 O\n0.000000 0.499189 0.733898 O\n0.500000 0.208032 0.289944 O\n0.000000 0.920601 0.794474 O\n0.000000 0.034290 0.054241 O\n0.500000 0.843311 0.264709 O\n0.000000 0.813353 0.174266 O\n0.000000 0.297442 0.698998 O\n0.000000 0.965710 0.945759 O\n0.000000 0.079399 0.205526 O\n0.000000 0.656480 0.495041 O\n0.500000 0.020824 0.582909 O\n0.500000 0.791968 0.710056 O\n0.500000 0.505032 0.292297 O\n0.000000 0.428574 0.088099 O\n0.000000 0.955167 0.304973 O\n0.000000 0.186647 0.825734 O\n0.500000 0.378371 0.932350 O\n0.000000 0.343520 0.504959 O\n0.000000 0.733649 0.811622 O\n0.000000 0.702558 0.301002 O\n0.500000 0.494968 0.707703 O\n0.500000 0.231776 0.438169 O\n0.000000 0.266351 0.188378 O\n0.500000 0.592917 0.817101 O\n0.000000 0.745236 0.049346 O\n0.000000 0.643184 0.061732 O\n0.500000 0.156689 0.735291 O\n0.000000 0.446291 0.793312 O\n0.000000 0.553709 0.206688 O\n0.000000 0.821793 0.411829 O\n0.000000 0.356816 0.938268 O\n0.500000 0.164856 0.105818 O\n0.000000 0.877835 0.630441 O\n0.500000 0.835144 0.894182 O\n0.500000 0.979176 0.417091 O\n0.000000 0.122165 0.369559 O\n0.000000 0.534228 0.405940 O\n0.000000 0.500811 0.266102 O\n0.500000 0.407083 0.182899 O\n0.000000 0.465772 0.594060 O\n0.500000 0.768224 0.561831 O\n0.500000 0.500000 0.500000 O\n0.000000 0.044833 0.695027 O\n0.500000 0.621629 0.067650 O\n",
"nsites": 64,
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"formula_full": "W17 O47",
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"spacegroup": 10
},
{
"id": "mp-1097346",
"created_at": "2022-09-04T14:48:03.491407Z",
"structure_string": "Tl1 In1 Pb2\n1.0\n-5.680386 6.437179 9.956015\n5.680386 -6.437179 9.956015\n5.680386 6.437179 -9.956015\nTl In Pb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.000000 0.242841 0.242841 Pb\n0.000000 0.757159 0.757159 Pb\n",
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"elements": [
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"spacegroup": 71
},
{
"id": "mp-1216313",
"created_at": "2022-09-04T14:48:03.498585Z",
"structure_string": "V1 Ni1\n1.0\n4.312149 -1.275992 0.000000\n4.312149 1.275992 0.000000\n3.934575 0.000000 2.177591\nV Ni\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ni\n",
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{
"id": "mp-1016556",
"created_at": "2022-09-04T14:48:03.531295Z",
"structure_string": "Cs1 Mg6 C1\n1.0\n11.811170 2.886749 0.000000\n-11.811170 2.886749 0.000000\n0.000000 1.203355 3.324278\nCs Mg C\n1 6 1\ndirect\n0.782943 0.217057 0.000000 Cs\n0.804928 0.725639 0.875573 Mg\n0.274361 0.195072 0.124427 Mg\n0.685293 0.803330 0.372922 Mg\n0.196670 0.314707 0.627078 Mg\n0.633324 0.366676 0.500000 Mg\n0.158175 0.841825 0.500000 Mg\n0.461887 0.538113 0.000000 C\n",
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{
"id": "mp-1247609",
"created_at": "2022-09-04T14:48:03.573163Z",
"structure_string": "Ca32 Mn28 Al4 O82\n1.0\n10.927740 -0.001025 -0.198429\n0.002126 15.414254 -0.015243\n-0.192233 -0.009081 10.949759\nCa Mn Al O\n32 28 4 82\ndirect\n0.991129 0.118901 0.528561 Ca\n0.013185 0.116239 0.984386 Ca\n0.008566 0.611481 0.509169 Ca\n0.996795 0.609894 0.015393 Ca\n0.534540 0.130666 0.501054 Ca\n0.531289 0.122192 0.992740 Ca\n0.536209 0.630921 0.474013 Ca\n0.547226 0.631259 0.977928 Ca\n0.505226 0.356400 0.997308 Ca\n0.508759 0.358348 0.484638 Ca\n0.503968 0.890324 0.983617 Ca\n0.487133 0.886931 0.505103 Ca\n0.964496 0.380040 0.002851 Ca\n0.957467 0.389729 0.520900 Ca\n0.976703 0.880805 0.987834 Ca\n0.958446 0.868697 0.528954 Ca\n0.239115 0.376959 0.257881 Ca\n0.227520 0.389208 0.769032 Ca\n0.256571 0.892224 0.259463 Ca\n0.243319 0.891693 0.763650 Ca\n0.735562 0.366143 0.245369 Ca\n0.747190 0.360514 0.754559 Ca\n0.752076 0.883876 0.249791 Ca\n0.728192 0.884145 0.756527 Ca\n0.275814 0.133264 0.228101 Ca\n0.263271 0.120239 0.757564 Ca\n0.227872 0.618161 0.246492 Ca\n0.227237 0.615378 0.739003 Ca\n0.736694 0.127276 0.246172 Ca\n0.767728 0.117280 0.758964 Ca\n0.785605 0.622097 0.255688 Ca\n0.777598 0.622988 0.753720 Ca\n0.024659 0.988314 0.255556 Mn\n0.997843 0.997133 0.751321 Mn\n0.994950 0.492530 0.263531 Mn\n0.991515 0.497748 0.757608 Mn\n0.488455 0.004959 0.746102 Mn\n0.508230 0.490593 0.228841 Mn\n0.508617 0.487646 0.726475 Mn\n0.252474 0.002991 0.004159 Mn\n0.239466 0.497133 0.018663 Mn\n0.244356 0.496812 0.515704 Mn\n0.754630 0.000272 0.004843 Mn\n0.732885 0.997238 0.507404 Mn\n0.743970 0.499462 0.997924 Mn\n0.739019 0.501527 0.494328 Mn\n0.241492 0.242007 0.467643 Mn\n0.267539 0.735399 0.955482 Mn\n0.264870 0.748519 0.454826 Mn\n0.762353 0.245460 0.005633 Mn\n0.756460 0.246875 0.500209 Mn\n0.760048 0.750688 0.006575 Mn\n0.749145 0.748452 0.504471 Mn\n0.005065 0.250130 0.764378 Mn\n0.995250 0.754965 0.268488 Mn\n0.991838 0.750593 0.762579 Mn\n0.500385 0.244541 0.246628 Mn\n0.511652 0.244707 0.756297 Mn\n0.519583 0.762067 0.251885 Mn\n0.511221 0.750110 0.746158 Mn\n0.511479 0.999518 0.230635 Al\n0.221158 0.001153 0.518184 Al\n0.275970 0.250887 0.979846 Al\n0.982674 0.264891 0.280111 Al\n0.621902 0.262090 0.117108 O\n0.611580 0.264170 0.612439 O\n0.585088 0.765092 0.093799 O\n0.578876 0.759865 0.580810 O\n0.399070 0.220479 0.386559 O\n0.410096 0.227565 0.895141 O\n0.403098 0.699760 0.339933 O\n0.397592 0.684149 0.849242 O\n0.894627 0.214537 0.392638 O\n0.904278 0.235666 0.909843 O\n0.907927 0.731704 0.427987 O\n0.916549 0.736100 0.925950 O\n0.135923 0.232183 0.298366 O\n0.173023 0.247930 0.828242 O\n0.166856 0.756286 0.289169 O\n0.165474 0.748930 0.804120 O\n0.642331 0.229622 0.363415 O\n0.661859 0.227818 0.861858 O\n0.660757 0.724301 0.345296 O\n0.660337 0.731270 0.856392 O\n0.360866 0.266266 0.138740 O\n0.885270 0.264260 0.147451 O\n0.876275 0.269401 0.631540 O\n0.856117 0.774986 0.157623 O\n0.841238 0.772461 0.657402 O\n0.345286 0.499880 0.169410 O\n0.345330 0.498978 0.668518 O\n0.358120 0.996626 0.150787 O\n0.343280 0.994893 0.635388 O\n0.852056 0.478830 0.153985 O\n0.837478 0.480067 0.647481 O\n0.868930 0.006482 0.188302 O\n0.852018 0.980263 0.644042 O\n0.168402 0.019482 0.356366 O\n0.145953 0.011462 0.853798 O\n0.153722 0.509334 0.364828 O\n0.148336 0.511803 0.868116 O\n0.619618 0.019449 0.367079 O\n0.630756 0.015227 0.853284 O\n0.634365 0.529995 0.338815 O\n0.630101 0.529109 0.835625 O\n0.389450 0.020841 0.896529 O\n0.894040 0.010849 0.893422 O\n0.888990 0.518944 0.401321 O\n0.890359 0.513243 0.897218 O\n0.095984 0.468518 0.126365 O\n0.095343 0.482859 0.620855 O\n0.109198 0.977821 0.102010 O\n0.086092 0.978961 0.599767 O\n0.582769 0.493975 0.075279 O\n0.577444 0.493329 0.568135 O\n0.617819 0.978887 0.114835 O\n0.593260 0.986726 0.615299 O\n0.998902 0.375970 0.316436 O\n0.004169 0.372739 0.787767 O\n0.989040 0.878671 0.320810 O\n0.009704 0.874500 0.779423 O\n0.508325 0.370240 0.279644 O\n0.495637 0.369817 0.782331 O\n0.477169 0.885020 0.286887 O\n0.479965 0.877282 0.769804 O\n0.501826 0.121793 0.210322 O\n0.475924 0.130664 0.702889 O\n0.992966 0.124514 0.734088 O\n0.002920 0.626198 0.227556 O\n0.995697 0.628543 0.721289 O\n0.211351 0.148846 0.029289 O\n0.204997 0.130391 0.546895 O\n0.223468 0.628516 0.033854 O\n0.232013 0.631427 0.529168 O\n0.751701 0.122480 0.036152 O\n0.755370 0.119171 0.537490 O\n0.754292 0.626192 0.041217 O\n0.740427 0.626143 0.541892 O\n0.283367 0.373202 0.483626 O\n0.275580 0.375541 0.977413 O\n0.271653 0.878552 0.478105 O\n0.290151 0.853769 0.979734 O\n0.745396 0.375474 0.460771 O\n0.748531 0.372846 0.970120 O\n0.750928 0.876660 0.462094 O\n0.760977 0.876028 0.971720 O\n",
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"formula_full": "Ca32 Mn28 Al4 O82",
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{
"id": "mp-1217919",
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"structure_string": "Ta1 Mo1 C2\n1.0\n5.153631 -1.572418 0.000000\n5.153631 1.572418 0.000000\n4.673873 0.000000 2.680919\nTa Mo C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Mo\n0.250353 0.250353 0.250353 C\n0.749647 0.749647 0.749647 C\n",
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{
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{
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"formula_full": "Ho3 Zn3 Pd3",
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{
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"structure_string": "Rh1 O3\n1.0\n0.000000 0.000000 -2.934481\n-5.539868 -3.198445 -0.978160\n-5.539868 3.198445 0.978161\nRh O\n1 3\ndirect\n0.500000 0.000000 0.000000 Rh\n0.342269 0.157731 0.684538 O\n0.500000 0.157731 0.157731 O\n0.657731 0.684538 0.157731 O\n",
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{
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}