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{
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{
"id": "mp-1076493",
"created_at": "2022-09-04T14:43:11.561244Z",
"structure_string": "Ba4 Sr28 Ti20 Mn12 O80\n1.0\n0.025808 0.016347 11.273399\n11.450469 -0.014105 0.026177\n-5.757473 16.142822 -5.627821\nBa Sr Ti Mn O\n4 28 20 12 80\ndirect\n0.308259 0.062273 0.115877 Ba\n0.314884 0.560822 0.116968 Ba\n0.810427 0.066892 0.117087 Ba\n0.058136 0.801452 0.112705 Ba\n0.306862 0.061803 0.610105 Sr\n0.313025 0.559026 0.611222 Sr\n0.807115 0.063846 0.607731 Sr\n0.805018 0.559524 0.107529 Sr\n0.803060 0.558162 0.611055 Sr\n0.200833 0.440262 0.393446 Sr\n0.198272 0.437574 0.888844 Sr\n0.201479 0.934703 0.394644 Sr\n0.204172 0.938238 0.890025 Sr\n0.700096 0.437084 0.395781 Sr\n0.696395 0.442153 0.885979 Sr\n0.698465 0.938396 0.388005 Sr\n0.689888 0.934899 0.888694 Sr\n0.056028 0.296575 0.106532 Sr\n0.053620 0.294434 0.610278 Sr\n0.057754 0.806082 0.612281 Sr\n0.552276 0.293520 0.102945 Sr\n0.560944 0.296300 0.608777 Sr\n0.561390 0.799510 0.111571 Sr\n0.560383 0.798480 0.609889 Sr\n0.448312 0.204018 0.393333 Sr\n0.442042 0.194182 0.887316 Sr\n0.449622 0.699513 0.391083 Sr\n0.448984 0.705156 0.889768 Sr\n0.946867 0.208070 0.393134 Sr\n0.950593 0.198563 0.886643 Sr\n0.948291 0.703305 0.393295 Sr\n0.945393 0.697798 0.888374 Sr\n0.994844 0.990109 0.981794 Ti\n0.003270 0.999701 0.498442 Ti\n0.997095 0.490986 0.985782 Ti\n0.009671 0.508318 0.511112 Ti\n0.503086 0.998893 0.000894 Ti\n0.505649 0.998747 0.498771 Ti\n0.498346 0.491625 0.985050 Ti\n0.504149 0.499248 0.499786 Ti\n0.252376 0.248879 0.997758 Ti\n0.259082 0.252986 0.508432 Ti\n0.255529 0.749133 0.997681 Ti\n0.262374 0.754683 0.513869 Ti\n0.747696 0.247838 0.988643 Ti\n0.753063 0.247594 0.498226 Ti\n0.751027 0.748964 0.998394 Ti\n0.760120 0.753667 0.508558 Ti\n0.115468 0.094004 0.259802 Ti\n0.108619 0.582327 0.249892 Ti\n0.631245 0.583759 0.254438 Ti\n0.837981 0.421046 0.250564 Ti\n0.108964 0.094105 0.748708 Mn\n0.109594 0.592971 0.751527 Mn\n0.614193 0.100710 0.252146 Mn\n0.606576 0.091253 0.746439 Mn\n0.608369 0.593744 0.748628 Mn\n0.369392 0.396644 0.251940 Mn\n0.355874 0.408951 0.748331 Mn\n0.373182 0.906345 0.253588 Mn\n0.360427 0.908992 0.752405 Mn\n0.856885 0.404995 0.745244 Mn\n0.859814 0.893882 0.252003 Mn\n0.854203 0.909605 0.746407 Mn\n0.126056 0.123702 0.490149 O\n0.120247 0.121801 0.991387 O\n0.126075 0.621908 0.490120 O\n0.122573 0.618191 0.991397 O\n0.625818 0.121092 0.491278 O\n0.626987 0.128077 0.992493 O\n0.627117 0.622856 0.490700 O\n0.624265 0.619460 0.992243 O\n0.127394 0.377264 0.004861 O\n0.130501 0.377392 0.503325 O\n0.126180 0.878629 0.002322 O\n0.136092 0.873071 0.506294 O\n0.632509 0.379756 0.005894 O\n0.632427 0.377743 0.506954 O\n0.631387 0.874711 0.005681 O\n0.635080 0.873462 0.505644 O\n0.372343 0.120198 0.490689 O\n0.373782 0.121607 0.991374 O\n0.372784 0.621547 0.491003 O\n0.379762 0.618193 0.993283 O\n0.877479 0.118199 0.491766 O\n0.877245 0.123952 0.994841 O\n0.877433 0.621096 0.493038 O\n0.875326 0.615663 0.992013 O\n0.384564 0.378644 0.003279 O\n0.381840 0.379750 0.508492 O\n0.383006 0.876831 0.003753 O\n0.380787 0.875094 0.506825 O\n0.883269 0.380221 0.006996 O\n0.886750 0.384602 0.508013 O\n0.880859 0.881498 0.002446 O\n0.883230 0.878406 0.507677 O\n0.086783 0.111973 0.158373 O\n0.075104 0.077400 0.623344 O\n0.080044 0.590789 0.146018 O\n0.076187 0.584830 0.626080 O\n0.567996 0.080337 0.123396 O\n0.570377 0.077623 0.622119 O\n0.595380 0.600615 0.151611 O\n0.570065 0.582744 0.623972 O\n0.442280 0.418005 0.375986 O\n0.447167 0.414904 0.870411 O\n0.447788 0.913251 0.375309 O\n0.449198 0.922995 0.875127 O\n0.927079 0.414003 0.356204 O\n0.942954 0.416117 0.870750 O\n0.949297 0.913240 0.375125 O\n0.943490 0.918241 0.868766 O\n0.317894 0.304346 0.124200 O\n0.320304 0.295103 0.624729 O\n0.322560 0.803360 0.125828 O\n0.322666 0.792522 0.627696 O\n0.819037 0.319341 0.140682 O\n0.823078 0.294390 0.622870 O\n0.818478 0.794069 0.125256 O\n0.822437 0.791584 0.625223 O\n0.195742 0.212461 0.360917 O\n0.193452 0.205779 0.874093 O\n0.193766 0.702752 0.348829 O\n0.198168 0.702881 0.875910 O\n0.705372 0.208182 0.377188 O\n0.697135 0.206947 0.873265 O\n0.703256 0.704030 0.358115 O\n0.696708 0.701040 0.874628 O\n0.440981 0.074714 0.260340 O\n0.425524 0.074177 0.748166 O\n0.465851 0.555820 0.260015 O\n0.425766 0.575065 0.750294 O\n0.958140 0.058735 0.261430 O\n0.924262 0.074439 0.746654 O\n0.948806 0.558804 0.252876 O\n0.926610 0.574221 0.749315 O\n0.182700 0.439403 0.250393 O\n0.174321 0.423391 0.748713 O\n0.192771 0.953194 0.260087 O\n0.177582 0.926300 0.750797 O\n0.665860 0.410652 0.249490 O\n0.675664 0.424358 0.747101 O\n0.683420 0.933986 0.249927 O\n0.674286 0.924953 0.749987 O\n",
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"density": 4.700666499546752,
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"volume_molar": 8.715100617661482,
"formula_full": "Ba4 Sr28 Ti20 Mn12 O80",
"formula_reduced": "BaSr7Ti5Mn3O20",
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{
"id": "mp-764940",
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"structure_string": "Fe12 O12 F12\n1.0\n3.128051 0.000000 0.000000\n0.000000 9.642997 0.000000\n0.000000 0.108561 14.334080\nFe O F\n12 12 12\ndirect\n0.000000 0.005616 0.005039 Fe\n0.000000 0.492411 0.009741 Fe\n0.500000 0.244073 0.154476 Fe\n0.500000 0.758489 0.187461 Fe\n0.000000 0.992212 0.341414 Fe\n0.000000 0.516674 0.332960 Fe\n0.500000 0.747477 0.486495 Fe\n0.500000 0.222763 0.498491 Fe\n0.000000 0.006161 0.669611 Fe\n0.000000 0.498057 0.677626 Fe\n0.500000 0.244960 0.815612 Fe\n0.500000 0.753804 0.815234 Fe\n0.500000 0.408954 0.066114 O\n0.000000 0.153363 0.102660 O\n0.000000 0.855126 0.234356 O\n0.500000 0.591807 0.267634 O\n0.500000 0.903754 0.399556 O\n0.000000 0.149222 0.436302 O\n0.000000 0.650305 0.436958 O\n0.500000 0.093121 0.603477 O\n0.500000 0.405805 0.729743 O\n0.500000 0.907080 0.728866 O\n0.000000 0.152819 0.769120 O\n0.000000 0.657165 0.767086 O\n0.500000 0.891793 0.065369 F\n0.000000 0.659865 0.100357 F\n0.000000 0.342502 0.234961 F\n0.500000 0.104004 0.269116 F\n0.500000 0.398317 0.399290 F\n0.000000 0.348658 0.563145 F\n0.000000 0.842901 0.564996 F\n0.500000 0.598517 0.601557 F\n0.000000 0.349882 0.899007 F\n0.000000 0.850213 0.898865 F\n0.500000 0.101972 0.930713 F\n0.500000 0.600158 0.936588 F\n",
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{
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{
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{
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{
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}