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{
"id": "mp-1213494",
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{
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{
"id": "mp-580113",
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"structure_string": "Dy2 Zn40 Ru4\n1.0\n0.000000 7.131756 7.131756\n7.131756 0.000000 7.131756\n7.131756 7.131756 0.000000\nDy Zn Ru\n2 40 4\ndirect\n0.750000 0.750000 0.750000 Dy\n0.500000 0.500000 0.500000 Dy\n0.386470 0.386470 0.113530 Zn\n0.863530 0.136470 0.863530 Zn\n0.681319 0.418531 0.950075 Zn\n0.418531 0.950075 0.950075 Zn\n0.113530 0.386470 0.386470 Zn\n0.299925 0.299925 0.568681 Zn\n0.568681 0.299925 0.299925 Zn\n0.125000 0.625000 0.625000 Zn\n0.831469 0.299925 0.299925 Zn\n0.681319 0.950075 0.418531 Zn\n0.299925 0.831469 0.568681 Zn\n0.568681 0.831469 0.299925 Zn\n0.950075 0.950075 0.418531 Zn\n0.831469 0.299925 0.568681 Zn\n0.299925 0.568681 0.299925 Zn\n0.299925 0.299925 0.831469 Zn\n0.950075 0.418531 0.681319 Zn\n0.863530 0.863530 0.136470 Zn\n0.950075 0.950075 0.681319 Zn\n0.681319 0.950075 0.950075 Zn\n0.418531 0.681319 0.950075 Zn\n0.950075 0.418531 0.950075 Zn\n0.386470 0.113530 0.386470 Zn\n0.299925 0.831469 0.299925 Zn\n0.386470 0.113530 0.113530 Zn\n0.950075 0.681319 0.950075 Zn\n0.113530 0.386470 0.113530 Zn\n0.299925 0.568681 0.831469 Zn\n0.831469 0.568681 0.299925 Zn\n0.568681 0.299925 0.831469 Zn\n0.625000 0.625000 0.125000 Zn\n0.863530 0.136470 0.136470 Zn\n0.625000 0.125000 0.625000 Zn\n0.113530 0.113530 0.386470 Zn\n0.136470 0.136470 0.863530 Zn\n0.136470 0.863530 0.136470 Zn\n0.950075 0.681319 0.418531 Zn\n0.625000 0.625000 0.625000 Zn\n0.136470 0.863530 0.863530 Zn\n0.418531 0.950075 0.681319 Zn\n0.125000 0.125000 0.625000 Ru\n0.625000 0.125000 0.125000 Ru\n0.125000 0.625000 0.125000 Ru\n0.125000 0.125000 0.125000 Ru\n",
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{
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"structure_string": "K1 Gd1 V4 O12\n1.0\n0.000000 -3.515956 -5.038196\n0.000000 -3.515956 5.038196\n-7.261477 0.000000 0.000000\nK Gd V O\n1 1 4 12\ndirect\n-0.039045 0.039045 0.500000 K\n0.432258 0.567742 -0.000000 Gd\n0.462813 0.042667 0.246432 V\n0.462813 0.042667 0.753568 V\n-0.042667 0.537187 0.753568 V\n-0.042667 0.537187 0.246432 V\n0.306731 0.212759 0.206690 O\n0.787241 0.693269 0.206690 O\n0.787241 0.693269 0.793310 O\n0.306731 0.212759 0.793310 O\n0.279320 0.720680 0.262736 O\n0.766411 0.233589 0.233512 O\n0.766411 0.233589 0.766488 O\n0.279320 0.720680 0.737264 O\n0.503955 0.952995 -0.000000 O\n0.482459 0.042730 0.500000 O\n0.047005 0.496045 -0.000000 O\n0.957270 0.517541 0.500000 O\n",
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{
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{
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"structure_string": "Sr12 Al8 Si12 O48\n1.0\n-6.137889 6.137889 6.137889\n6.137889 -6.137889 6.137889\n6.137889 6.137889 -6.137889\nSr Al Si O\n12 8 12 48\ndirect\n0.875000 0.750000 0.625000 Sr\n0.875000 0.625000 0.250000 Sr\n0.625000 0.875000 0.750000 Sr\n0.250000 0.875000 0.625000 Sr\n0.750000 0.625000 0.875000 Sr\n0.625000 0.250000 0.875000 Sr\n0.125000 0.250000 0.375000 Sr\n0.125000 0.375000 0.750000 Sr\n0.375000 0.125000 0.250000 Sr\n0.750000 0.125000 0.375000 Sr\n0.250000 0.375000 0.125000 Sr\n0.375000 0.750000 0.125000 Sr\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.625000 0.375000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.375000 0.250000 0.625000 Si\n0.375000 0.625000 0.750000 Si\n0.250000 0.125000 0.875000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.875000 0.125000 Si\n0.125000 0.750000 0.875000 Si\n0.891651 0.390677 0.082511 O\n0.809140 0.891651 0.000974 O\n0.390677 0.808166 0.499026 O\n0.691834 0.082511 0.690860 O\n0.808166 0.499026 0.390677 O\n0.000974 0.809140 0.891651 O\n0.082511 0.690860 0.691834 O\n0.000974 0.691834 0.109323 O\n0.809140 0.417489 0.808166 O\n0.417489 0.808166 0.809140 O\n0.690860 0.499026 0.608349 O\n0.082511 0.891651 0.390677 O\n0.390677 0.082511 0.891651 O\n0.109323 0.000974 0.691834 O\n0.499026 0.608349 0.690860 O\n0.808166 0.809140 0.417489 O\n0.109323 0.608349 0.417489 O\n0.608349 0.690860 0.499026 O\n0.891651 0.000974 0.809140 O\n0.691834 0.109323 0.000974 O\n0.499026 0.390677 0.808166 O\n0.690860 0.691834 0.082511 O\n0.608349 0.417489 0.109323 O\n0.417489 0.109323 0.608349 O\n0.108349 0.609323 0.917489 O\n0.190860 0.108349 0.999026 O\n0.609323 0.191834 0.500974 O\n0.308166 0.917489 0.309140 O\n0.191834 0.500974 0.609323 O\n0.999026 0.190860 0.108349 O\n0.917489 0.309140 0.308166 O\n0.999026 0.308166 0.890677 O\n0.190860 0.582511 0.191834 O\n0.582511 0.191834 0.190860 O\n0.309140 0.500974 0.391651 O\n0.917489 0.108349 0.609323 O\n0.609323 0.917489 0.108349 O\n0.890677 0.999026 0.308166 O\n0.500974 0.391651 0.309140 O\n0.191834 0.190860 0.582511 O\n0.890677 0.391651 0.582511 O\n0.391651 0.309140 0.500974 O\n0.108349 0.999026 0.190860 O\n0.308166 0.890677 0.999026 O\n0.500974 0.609323 0.191834 O\n0.309140 0.308166 0.917489 O\n0.391651 0.582511 0.890677 O\n0.582511 0.890677 0.391651 O\n",
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{
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{
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{
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"structure_string": "H112 Pt8 Br20 N36 O8\n1.0\n14.954870 0.000000 0.000000\n0.000000 11.060801 0.000000\n0.000000 4.198416 12.077011\nH Pt Br N O\n112 8 20 36 8\ndirect\n0.368122 0.073902 0.005655 H\n0.900114 0.057948 0.075674 H\n0.434465 0.179641 0.032488 H\n0.056802 0.054843 0.329439 H\n0.215092 0.063845 0.340053 H\n0.322644 0.197848 0.034292 H\n0.786449 0.094626 0.305566 H\n0.608872 0.044672 0.460292 H\n0.793620 0.162619 0.179658 H\n0.026552 0.168067 0.213367 H\n0.243230 0.175951 0.223465 H\n0.131878 0.073902 0.505655 H\n0.975187 0.153760 0.334132 H\n0.599886 0.057948 0.575674 H\n0.288763 0.173378 0.344719 H\n0.659667 0.248065 0.195127 H\n0.550144 0.267760 0.185888 H\n0.065535 0.179641 0.532488 H\n0.443198 0.054843 0.829439 H\n0.617035 0.368823 0.089939 H\n0.284908 0.063845 0.840053 H\n0.177356 0.197848 0.534292 H\n0.713551 0.094626 0.805566 H\n0.891128 0.044672 0.960292 H\n0.686787 0.240228 0.418540 H\n0.760325 0.301976 0.315583 H\n0.477049 0.285982 0.329469 H\n0.706380 0.162619 0.679658 H\n0.070522 0.400896 0.121160 H\n0.536580 0.278449 0.439101 H\n0.473448 0.168067 0.713367 H\n0.182727 0.410880 0.121682 H\n0.256770 0.175951 0.723465 H\n0.524813 0.153760 0.834132 H\n0.211237 0.173378 0.844719 H\n0.747342 0.372666 0.409037 H\n0.972624 0.404349 0.300881 H\n0.840333 0.248065 0.695127 H\n0.949856 0.267760 0.685888 H\n0.468141 0.403901 0.384029 H\n0.270268 0.431411 0.306116 H\n0.023744 0.418082 0.413156 H\n0.210686 0.433292 0.416576 H\n0.882965 0.368823 0.589939 H\n0.710686 0.566708 0.083424 H\n0.813213 0.240228 0.918540 H\n0.739675 0.301976 0.815583 H\n0.022951 0.285982 0.829469 H\n0.523744 0.581918 0.086844 H\n0.770268 0.568589 0.193884 H\n0.968141 0.596099 0.115971 H\n0.429478 0.400896 0.621160 H\n0.963420 0.278449 0.939101 H\n0.317273 0.410880 0.621682 H\n0.472624 0.595651 0.199119 H\n0.247342 0.627334 0.090963 H\n0.752658 0.372666 0.909037 H\n0.527376 0.404349 0.800881 H\n0.682727 0.589120 0.378318 H\n0.036580 0.721551 0.060899 H\n0.570522 0.599104 0.378840 H\n0.031859 0.403901 0.884029 H\n0.229732 0.431411 0.806116 H\n0.476256 0.418082 0.913156 H\n0.977049 0.714018 0.170531 H\n0.260325 0.698024 0.184417 H\n0.186787 0.759772 0.081460 H\n0.289314 0.433292 0.916576 H\n0.117035 0.631177 0.410061 H\n0.789314 0.566708 0.583424 H\n0.976256 0.581918 0.586844 H\n0.729732 0.568589 0.693884 H\n0.531859 0.596099 0.615971 H\n0.050144 0.732240 0.314112 H\n0.159667 0.751935 0.304873 H\n0.027376 0.595651 0.699119 H\n0.252658 0.627334 0.590963 H\n0.788763 0.826622 0.155281 H\n0.475187 0.846240 0.165868 H\n0.743230 0.824049 0.276535 H\n0.817273 0.589120 0.878318 H\n0.526552 0.831933 0.286633 H\n0.463420 0.721551 0.560899 H\n0.929478 0.599104 0.878840 H\n0.293620 0.837381 0.320342 H\n0.522951 0.714018 0.670531 H\n0.239675 0.698024 0.684417 H\n0.313213 0.759772 0.581460 H\n0.108872 0.955328 0.039708 H\n0.286449 0.905374 0.194434 H\n0.822644 0.802152 0.465708 H\n0.715092 0.936155 0.159947 H\n0.382965 0.631177 0.910061 H\n0.556802 0.945157 0.170561 H\n0.934465 0.820359 0.467512 H\n0.449856 0.732240 0.814112 H\n0.340333 0.751935 0.804873 H\n0.711237 0.826622 0.655281 H\n0.400114 0.942052 0.424326 H\n0.024813 0.846240 0.665868 H\n0.868122 0.926098 0.494345 H\n0.756770 0.824049 0.776535 H\n0.973448 0.831933 0.786633 H\n0.206380 0.837381 0.820342 H\n0.391128 0.955328 0.539708 H\n0.213551 0.905374 0.694434 H\n0.677356 0.802152 0.965708 H\n0.784908 0.936155 0.659947 H\n0.943198 0.945157 0.670561 H\n0.565535 0.820359 0.967512 H\n0.099886 0.942052 0.924326 H\n0.631878 0.926098 0.994345 H\n0.126995 0.277783 0.326143 Pt\n0.616250 0.444581 0.264680 Pt\n0.373005 0.277783 0.826143 Pt\n0.116250 0.555419 0.235320 Pt\n0.883750 0.444581 0.764680 Pt\n0.626995 0.722217 0.173857 Pt\n0.383750 0.555419 0.735320 Pt\n0.873005 0.722217 0.673857 Pt\n0.443420 0.097069 0.262258 Br\n0.154886 0.192800 0.037995 Br\n0.877722 0.129234 0.495804 Br\n0.056580 0.097069 0.762258 Br\n0.345114 0.192800 0.537995 Br\n0.890477 0.381303 0.128988 Br\n0.354967 0.455114 0.083988 Br\n0.622278 0.129234 0.995804 Br\n0.609523 0.381303 0.628988 Br\n0.145033 0.455114 0.583988 Br\n0.854967 0.544886 0.416012 Br\n0.390477 0.618697 0.371012 Br\n0.377722 0.870766 0.004196 Br\n0.645033 0.544886 0.916012 Br\n0.109523 0.618697 0.871012 Br\n0.654886 0.807200 0.462005 Br\n0.943420 0.902931 0.237742 Br\n0.122278 0.870766 0.504196 Br\n0.845114 0.807200 0.962005 Br\n0.556580 0.902931 0.737742 Br\n0.036111 0.148893 0.296914 N\n0.230607 0.159828 0.306243 N\n0.124683 0.171135 0.494193 N\n0.610040 0.317858 0.173439 N\n0.463889 0.148893 0.796914 N\n0.712916 0.325100 0.364186 N\n0.125342 0.409519 0.166849 N\n0.269393 0.159828 0.806243 N\n0.512644 0.342035 0.365899 N\n0.033819 0.412360 0.335552 N\n0.206729 0.427262 0.337670 N\n0.375317 0.171135 0.994193 N\n0.889960 0.317858 0.673439 N\n0.706729 0.572738 0.162330 N\n0.533819 0.587640 0.164448 N\n0.787084 0.325100 0.864186 N\n0.374658 0.409519 0.666849 N\n0.987356 0.342035 0.865899 N\n0.012644 0.657965 0.134101 N\n0.625342 0.590481 0.333151 N\n0.212916 0.674900 0.135814 N\n0.466181 0.412360 0.835552 N\n0.293271 0.427262 0.837670 N\n0.110040 0.682142 0.326561 N\n0.624683 0.828865 0.005807 N\n0.793271 0.572738 0.662330 N\n0.966181 0.587640 0.664448 N\n0.487356 0.657965 0.634101 N\n0.730607 0.840172 0.193757 N\n0.874658 0.590481 0.833151 N\n0.287084 0.674900 0.635814 N\n0.536111 0.851107 0.203086 N\n0.389960 0.682142 0.826561 N\n0.875317 0.828865 0.505807 N\n0.769393 0.840172 0.693757 N\n0.963889 0.851107 0.703086 N\n0.750468 0.119705 0.238018 O\n0.615574 0.108099 0.497952 O\n0.749532 0.119705 0.738018 O\n0.884426 0.108099 0.997952 O\n0.115574 0.891901 0.002048 O\n0.250468 0.880295 0.261982 O\n0.384426 0.891901 0.502048 O\n0.249532 0.880295 0.761982 O\n",
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{
"id": "mp-1048765",
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"structure_string": "Mg2 Sb4 O12\n1.0\n5.215519 0.000000 0.000000\n0.000000 5.428868 0.000000\n0.000000 0.000000 7.574682\nMg Sb O\n2 4 12\ndirect\n0.520138 0.320830 0.500000 Mg\n0.020138 0.679170 0.000000 Mg\n0.502587 0.757767 0.749203 Sb\n0.002587 0.242233 0.750797 Sb\n0.002587 0.242233 0.249203 Sb\n0.502587 0.757767 0.250797 Sb\n0.672652 0.072777 0.315874 O\n0.172652 0.927223 0.184126 O\n0.801003 0.542823 0.687875 O\n0.301003 0.457177 0.812125 O\n0.301003 0.457177 0.187875 O\n0.801003 0.542823 0.312125 O\n0.172652 0.927223 0.815874 O\n0.672652 0.072777 0.684126 O\n0.140833 0.211599 0.500000 O\n0.640833 0.788401 0.000000 O\n0.396811 0.690952 0.500000 O\n0.896811 0.309048 0.000000 O\n",
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{
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{
"id": "mp-1183115",
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"structure_string": "Ac1 Al1 O3\n1.0\n3.885750 0.000000 0.000000\n0.000000 3.885750 0.000000\n0.000000 0.000000 3.885750\nAc Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Ac1 Al1 O3",
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}
]
}