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{
"id": "mp-1016572",
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"structure_string": "Cs1 Mg6 Ga1\n1.0\n3.143370 -8.835423 0.000000\n3.143370 8.835423 0.000000\n0.000000 0.000000 4.942140\nCs Mg Ga\n1 6 1\ndirect\n0.791818 0.208182 0.500000 Cs\n0.306767 0.173782 0.500000 Mg\n0.826218 0.693233 0.500000 Mg\n0.203828 0.296824 0.000000 Mg\n0.703176 0.796172 0.000000 Mg\n0.609405 0.390595 0.000000 Mg\n0.120868 0.879132 0.000000 Mg\n0.437928 0.562072 0.500000 Ga\n",
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{
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{
"id": "mp-1110747",
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"structure_string": "Rb2 Li1 Pr1 I6\n1.0\n0.000000 6.105675 6.105675\n6.105675 0.000000 6.105675\n6.105675 6.105675 0.000000\nRb Li Pr I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.744106 0.255894 0.255894 I\n0.255894 0.255894 0.744106 I\n0.255894 0.744106 0.744106 I\n0.255894 0.744106 0.255894 I\n0.744106 0.255894 0.744106 I\n0.744106 0.744106 0.255894 I\n",
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"formula_full": "Rb2 Li1 Pr1 I6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "mp-759930",
"created_at": "2022-09-04T14:41:30.991587Z",
"structure_string": "Li4 V4 Cr4 P16 O56\n1.0\n7.155479 0.000000 0.000000\n-3.521723 9.013415 0.000000\n-1.791056 -4.496470 16.127740\nLi V Cr P O\n4 4 4 16 56\ndirect\n0.290352 0.965250 0.432306 Li\n0.265080 0.590819 0.680405 Li\n0.013282 0.340925 0.180934 Li\n0.039907 0.714741 0.932402 Li\n0.157770 0.880278 0.247863 V\n0.901637 0.630009 0.748049 V\n0.654898 0.382918 0.253319 V\n0.411466 0.133623 0.753095 V\n0.722739 0.994355 0.502838 Cr\n0.473733 0.744684 0.002988 Cr\n0.217448 0.493792 0.498799 Cr\n0.966926 0.243893 0.998470 Cr\n0.334118 0.856898 0.591463 P\n0.081936 0.605229 0.090379 P\n0.794764 0.881794 0.891503 P\n0.546557 0.631419 0.391707 P\n0.973599 0.890169 0.641742 P\n0.720879 0.636231 0.141694 P\n0.380192 0.857846 0.839808 P\n0.133469 0.608907 0.340969 P\n0.833046 0.352529 0.587557 P\n0.585655 0.104333 0.088393 P\n0.294928 0.380719 0.891072 P\n0.042814 0.131017 0.391120 P\n0.472927 0.383611 0.640904 P\n0.225764 0.137278 0.140995 P\n0.881508 0.357985 0.839875 P\n0.627937 0.106312 0.338845 P\n0.548169 0.941180 0.089991 O\n0.455455 0.986142 0.269173 O\n0.133895 0.985266 0.165469 O\n0.801927 0.913278 0.595036 O\n0.552779 0.664254 0.095602 O\n0.661777 0.804303 0.411787 O\n0.426998 0.910320 0.520209 O\n0.177215 0.660636 0.020197 O\n0.447947 0.967284 0.676552 O\n0.196975 0.715364 0.176084 O\n0.166193 0.774437 0.337311 O\n0.862654 0.767207 0.217715 O\n0.109860 0.862581 0.574389 O\n0.859678 0.612632 0.074114 O\n0.583714 0.831166 0.824405 O\n0.335271 0.582892 0.323135 O\n0.744681 0.824009 0.967494 O\n0.488316 0.574200 0.466735 O\n0.301819 0.692152 0.591632 O\n0.051583 0.441551 0.091480 O\n0.340207 0.832481 0.923977 O\n0.101240 0.590517 0.426042 O\n0.212940 0.732049 0.768677 O\n0.964423 0.485313 0.269652 O\n0.887087 0.738672 0.669305 O\n0.636582 0.486273 0.168909 O\n0.910924 0.795414 0.844412 O\n0.660081 0.548773 0.341262 O\n0.307047 0.422762 0.598974 O\n0.057030 0.173024 0.098638 O\n0.411755 0.553871 0.911413 O\n0.160660 0.303260 0.409589 O\n0.933468 0.410081 0.519829 O\n0.683479 0.159406 0.019433 O\n0.951606 0.469216 0.673789 O\n0.703380 0.220599 0.174052 O\n0.917180 0.525374 0.835891 O\n0.663123 0.270786 0.333602 O\n0.606278 0.517391 0.718061 O\n0.356084 0.269436 0.218482 O\n0.611146 0.364812 0.574128 O\n0.362170 0.115486 0.074428 O\n0.084452 0.334177 0.822593 O\n0.832564 0.081967 0.323960 O\n0.237764 0.324446 0.966490 O\n0.993709 0.074308 0.467528 O\n0.797971 0.190486 0.590056 O\n0.853177 0.342217 0.925912 O\n0.591820 0.083706 0.423996 O\n0.708043 0.239423 0.769992 O\n0.383073 0.233076 0.665703 O\n0.407185 0.297228 0.840582 O\n0.157970 0.043773 0.344057 O\n0.911203 0.053847 0.909874 O\n0.412511 0.020850 0.835267 O\n0.111254 0.019159 0.718097 O\n",
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"elements": [
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"density_atomic": 0.08075653818195452,
"volume": 1040.1634578582052,
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"formula_full": "Li4 V4 Cr4 P16 O56",
"formula_reduced": "LiVCr(P2O7)2",
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{
"id": "mp-865349",
"created_at": "2022-09-04T14:41:30.994545Z",
"structure_string": "Li2 Gd1 Tl1\n1.0\n0.000000 3.479760 3.479760\n3.479760 0.000000 3.479760\n3.479760 3.479760 0.000000\nLi Gd Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Tl\n",
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"formula_full": "Li2 Gd1 Tl1",
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{
"id": "mp-628614",
"created_at": "2022-09-04T14:41:30.698998Z",
"structure_string": "Ce4 Si14 Rh30\n1.0\n8.930730 0.000000 0.000000\n0.000000 8.930730 0.000000\n0.000000 0.000000 8.930730\nCe Si Rh\n4 14 30\ndirect\n0.500000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.500000 Ce\n0.000000 0.500000 0.000000 Ce\n0.212355 0.787645 0.787645 Si\n0.500000 0.500000 0.864680 Si\n0.212355 0.787645 0.212355 Si\n0.787645 0.212355 0.787645 Si\n0.787645 0.787645 0.212355 Si\n0.135320 0.500000 0.500000 Si\n0.500000 0.864680 0.500000 Si\n0.500000 0.135320 0.500000 Si\n0.500000 0.500000 0.135320 Si\n0.212355 0.212355 0.212355 Si\n0.864680 0.500000 0.500000 Si\n0.787645 0.212355 0.212355 Si\n0.212355 0.212355 0.787645 Si\n0.787645 0.787645 0.787645 Si\n0.500000 0.262097 0.262097 Rh\n0.000000 0.000000 0.227181 Rh\n0.323237 0.000000 0.676763 Rh\n0.737903 0.500000 0.262097 Rh\n0.676763 0.323237 0.000000 Rh\n0.772819 0.000000 0.000000 Rh\n0.323237 0.000000 0.323237 Rh\n0.000000 0.000000 0.772819 Rh\n0.737903 0.262097 0.500000 Rh\n0.676763 0.000000 0.323237 Rh\n0.227181 0.000000 0.000000 Rh\n0.000000 0.323237 0.323237 Rh\n0.737903 0.500000 0.737903 Rh\n0.000000 0.676763 0.323237 Rh\n0.262097 0.500000 0.737903 Rh\n0.000000 0.676763 0.676763 Rh\n0.737903 0.737903 0.500000 Rh\n0.000000 0.323237 0.676763 Rh\n0.500000 0.737903 0.737903 Rh\n0.323237 0.323237 0.000000 Rh\n0.500000 0.262097 0.737903 Rh\n0.323237 0.676763 0.000000 Rh\n0.000000 0.227181 0.000000 Rh\n0.676763 0.000000 0.676763 Rh\n0.262097 0.262097 0.500000 Rh\n0.262097 0.737903 0.500000 Rh\n0.500000 0.737903 0.262097 Rh\n0.262097 0.500000 0.262097 Rh\n0.000000 0.772819 0.000000 Rh\n0.676763 0.676763 0.000000 Rh\n",
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{
"id": "mp-1211657",
"created_at": "2022-09-04T14:41:30.822099Z",
"structure_string": "Mn4 H28 C16 N12 O28\n1.0\n6.959828 0.000000 0.000000\n0.000000 10.932670 0.000000\n0.000000 7.156324 11.995714\nMn H C N O\n4 28 16 12 28\ndirect\n0.815625 0.780388 0.049745 Mn\n0.184375 0.219612 0.950255 Mn\n0.315625 0.219612 0.450255 Mn\n0.684375 0.780388 0.549745 Mn\n0.381625 0.893017 0.393115 H\n0.618375 0.106983 0.606885 H\n0.881625 0.106983 0.106885 H\n0.118375 0.893017 0.893115 H\n0.159695 0.938529 0.108832 H\n0.840305 0.061471 0.891168 H\n0.659695 0.061471 0.391168 H\n0.340305 0.938529 0.608832 H\n0.814406 0.984504 0.355188 H\n0.185594 0.015496 0.644812 H\n0.314406 0.015496 0.144812 H\n0.685594 0.984504 0.855188 H\n0.439896 0.852095 0.070088 H\n0.560104 0.147905 0.929912 H\n0.939896 0.147905 0.429912 H\n0.060104 0.852095 0.570088 H\n0.470352 0.724193 0.191065 H\n0.529648 0.275807 0.808935 H\n0.970352 0.275807 0.308935 H\n0.029648 0.724193 0.691065 H\n0.861292 0.547838 0.293814 H\n0.138708 0.452162 0.706186 H\n0.361292 0.452162 0.206186 H\n0.638708 0.547838 0.793814 H\n0.816294 0.262819 0.012835 H\n0.183706 0.737181 0.987165 H\n0.316294 0.737181 0.487165 H\n0.683706 0.262819 0.512835 H\n0.832897 0.695818 0.352948 C\n0.167103 0.304182 0.647052 C\n0.332897 0.304182 0.147052 C\n0.667103 0.695818 0.852948 C\n0.833120 0.464497 0.131080 C\n0.166880 0.535503 0.868920 C\n0.333120 0.535503 0.368920 C\n0.666880 0.464497 0.631080 C\n0.891247 0.833921 0.251507 C\n0.108753 0.166079 0.748493 C\n0.391247 0.166079 0.248493 C\n0.608753 0.833921 0.751507 C\n0.760145 0.532605 0.013354 C\n0.239855 0.467395 0.986646 C\n0.260145 0.467395 0.486646 C\n0.739855 0.532605 0.513354 C\n0.773141 0.464384 0.458363 N\n0.226859 0.535616 0.541637 N\n0.273141 0.535616 0.041637 N\n0.726859 0.464384 0.958363 N\n0.832884 0.568763 0.357777 N\n0.167116 0.431237 0.642223 N\n0.332884 0.431237 0.142223 N\n0.667116 0.568763 0.857777 N\n0.774632 0.675022 0.451352 N\n0.225368 0.324978 0.548648 N\n0.274632 0.324978 0.048648 N\n0.725368 0.675022 0.951352 N\n0.387088 0.822722 0.474061 O\n0.612912 0.177278 0.525939 O\n0.887088 0.177278 0.025939 O\n0.112912 0.822722 0.974061 O\n0.866531 0.333533 0.184177 O\n0.133469 0.666467 0.815823 O\n0.366531 0.666467 0.315823 O\n0.633469 0.333533 0.684177 O\n0.949593 0.825270 0.168298 O\n0.050407 0.174730 0.831702 O\n0.449593 0.174730 0.331702 O\n0.550407 0.825270 0.668298 O\n0.857424 0.551963 0.165902 O\n0.142576 0.448037 0.834098 O\n0.357424 0.448037 0.334098 O\n0.642576 0.551963 0.665902 O\n0.770231 0.994611 0.418923 O\n0.229769 0.005389 0.581077 O\n0.270231 0.005389 0.081077 O\n0.729769 0.994611 0.918923 O\n0.520640 0.767708 0.112705 O\n0.479360 0.232292 0.887295 O\n0.020640 0.232292 0.387295 O\n0.979360 0.767708 0.612705 O\n0.883148 0.947081 0.254063 O\n0.116852 0.052919 0.745937 O\n0.383148 0.052919 0.245937 O\n0.616852 0.947081 0.754063 O\n",
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{
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