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{
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{
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"structure_string": "Ba2 Mn3 O8\n1.0\n3.879854 0.000000 0.000000\n0.000000 3.879854 0.000000\n0.000000 0.000000 12.436460\nBa Mn O\n2 3 8\ndirect\n0.000000 0.000000 0.169152 Ba\n0.000000 0.000000 0.830848 Ba\n0.500000 0.500000 0.331460 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.668540 Mn\n0.500000 0.000000 0.348773 O\n0.000000 0.500000 0.348773 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.180594 O\n0.500000 0.000000 0.651227 O\n0.000000 0.500000 0.651227 O\n0.500000 0.500000 0.819406 O\n0.500000 0.000000 0.000000 O\n",
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{
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"structure_string": "La1 Ce1 N2\n1.0\n6.077212 -1.821760 0.000000\n6.077212 1.821760 0.000000\n5.531105 0.000000 3.107764\nLa Ce N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Ce\n0.257865 0.257865 0.257865 N\n0.742135 0.742135 0.742135 N\n",
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{
"id": "mp-1097019",
"created_at": "2022-09-04T14:47:43.125309Z",
"structure_string": "H24 Pb4 C4 N4 F12\n1.0\n7.091882 0.020710 -0.119524\n0.020831 7.062254 -0.196606\n-0.178817 -0.288534 10.778302\nH Pb C N F\n24 4 4 4 12\nSelective dynamics\ndirect\n0.397768 0.897696 0.693502 T T T H\n0.644398 0.953655 0.695487 T T T H\n0.384441 0.053375 0.900936 T T T H\n0.611220 0.113265 0.902642 T T T H\n0.554852 0.884856 0.901605 T T T H\n0.902631 0.395218 0.687218 T T T H\n0.146459 0.462141 0.696375 T T T H\n0.873155 0.534725 0.897623 T T T H\n0.097825 0.603082 0.905680 T T T H\n0.049512 0.373021 0.897015 T T T H\n0.856511 0.486174 0.186683 T T T H\n0.083291 0.374111 0.194372 T T T H\n0.904288 0.609362 0.399545 T T T H\n0.120282 0.516545 0.406787 T T T H\n0.929649 0.376174 0.393285 T T T H\n0.404020 0.895450 0.187753 T T T H\n0.646529 0.968100 0.196021 T T T H\n0.377150 0.030963 0.399654 T T T H\n0.600762 0.103338 0.405454 T T T H\n0.556654 0.873164 0.396336 T T T H\n0.065932 0.627948 0.200880 T T T H\n0.966608 0.641157 0.697485 T T T H\n0.471729 0.139970 0.694745 T T T H\n0.462135 0.142581 0.199783 T T T H\n0.990588 0.992887 0.026324 T T T Pb\n0.498560 0.500285 0.528544 T T T Pb\n0.012073 0.999294 0.528539 T T T Pb\n0.488342 0.495897 0.026791 T T T Pb\n0.504493 0.001462 0.226914 T T T C\n0.004771 0.499660 0.726224 T T T C\n0.999970 0.496898 0.226446 T T T C\n0.505696 0.999422 0.727289 T T T C\n0.507711 0.000470 0.364428 T T T N\n0.004542 0.501174 0.863803 T T T N\n0.989158 0.498637 0.363560 T T T N\n0.512717 0.011731 0.864952 T T T N\n0.005209 0.003749 0.232965 T T T F\n0.501861 0.495280 0.734239 T T T F\n0.999301 0.998063 0.734197 T T T F\n0.504739 0.503078 0.233248 T T T F\n0.235237 0.744940 0.000558 T T T F\n0.755236 0.248270 0.487549 T T T F\n0.222222 0.228542 0.993791 T T T F\n0.756895 0.753250 0.487424 T T T F\n0.737150 0.247037 0.994397 T T T F\n0.252019 0.744769 0.505660 T T T F\n0.723480 0.726762 0.993701 T T T F\n0.259563 0.251150 0.503755 T T T F\n",
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],
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"density": 3.6490111337107227,
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"formula_full": "H24 Pb4 C4 N4 F12",
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{
"id": "mp-510248",
"created_at": "2022-09-04T14:47:43.244759Z",
"structure_string": "Ba4 Gd8 Mn8 O28\n1.0\n5.544188 0.000000 0.000000\n0.000000 5.544188 0.000000\n0.000000 0.000000 20.098601\nBa Gd Mn O\n4 8 8 28\ndirect\n0.244028 0.244028 0.000000 Ba\n0.255972 0.744028 0.500000 Ba\n0.744028 0.255972 0.500000 Ba\n0.755972 0.755972 0.000000 Ba\n0.228731 0.228731 0.183660 Gd\n0.271269 0.728731 0.683660 Gd\n0.728731 0.271269 0.683660 Gd\n0.728731 0.271269 0.316340 Gd\n0.271269 0.728731 0.316340 Gd\n0.771269 0.771269 0.183660 Gd\n0.228731 0.228731 0.816340 Gd\n0.771269 0.771269 0.816340 Gd\n0.246327 0.246327 0.397841 Mn\n0.253673 0.746327 0.897841 Mn\n0.746327 0.253673 0.897841 Mn\n0.746327 0.253673 0.102159 Mn\n0.253673 0.746327 0.102159 Mn\n0.753673 0.753673 0.397841 Mn\n0.246327 0.246327 0.602159 Mn\n0.753673 0.753673 0.602159 Mn\n0.274080 0.725920 0.000000 O\n0.774080 0.774080 0.500000 O\n0.225920 0.225920 0.500000 O\n0.725920 0.274080 0.000000 O\n0.000000 0.500000 0.387650 O\n0.000000 0.500000 0.887650 O\n0.500000 0.000000 0.112350 O\n0.500000 0.000000 0.612350 O\n0.000000 0.500000 0.612350 O\n0.000000 0.500000 0.112350 O\n0.500000 0.000000 0.887650 O\n0.500000 0.000000 0.387650 O\n0.000000 0.000000 0.099557 O\n0.500000 0.500000 0.599557 O\n0.500000 0.500000 0.400443 O\n0.000000 0.000000 0.900443 O\n0.000000 0.000000 0.375397 O\n0.500000 0.500000 0.875397 O\n0.500000 0.500000 0.124603 O\n0.000000 0.000000 0.624603 O\n0.298196 0.298196 0.291650 O\n0.201804 0.798196 0.791650 O\n0.798196 0.201804 0.791650 O\n0.798196 0.201804 0.208350 O\n0.201804 0.798196 0.208350 O\n0.701804 0.701804 0.291650 O\n0.298196 0.298196 0.708350 O\n0.701804 0.701804 0.708350 O\n",
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"formula_full": "Ba4 Gd8 Mn8 O28",
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{
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"structure_string": "Al4 P4 I32\n1.0\n11.196230 0.000000 0.000000\n0.000000 11.402695 0.000000\n0.000000 0.000000 16.230963\nAl P I\n4 4 32\ndirect\n0.992206 0.920201 0.662267 Al\n0.492206 0.579799 0.162267 Al\n0.007794 0.079799 0.162267 Al\n0.507794 0.420201 0.662267 Al\n0.014992 0.457987 0.449321 P\n0.514992 0.042013 0.949321 P\n0.985008 0.542013 0.949321 P\n0.485008 0.957987 0.449321 P\n0.487042 0.606220 0.745165 I\n0.629627 0.968817 0.829604 I\n0.538766 0.546756 0.006992 I\n0.958505 0.754296 0.974930 I\n0.541495 0.254296 0.974930 I\n0.038766 0.953244 0.506992 I\n0.870373 0.468817 0.829604 I\n0.301978 0.014349 0.925422 I\n0.646887 0.732667 0.213880 I\n0.512958 0.393780 0.245165 I\n0.853113 0.232667 0.213880 I\n0.987042 0.893780 0.245165 I\n0.353113 0.267333 0.713880 I\n0.698022 0.985651 0.425422 I\n0.198022 0.514349 0.925422 I\n0.370373 0.031183 0.329604 I\n0.427528 0.079463 0.570110 I\n0.717975 0.330061 0.675780 I\n0.458505 0.745704 0.474930 I\n0.572472 0.920537 0.070110 I\n0.782025 0.830061 0.675780 I\n0.927528 0.420537 0.070110 I\n0.012958 0.106220 0.745165 I\n0.146887 0.767333 0.713880 I\n0.129627 0.531183 0.329604 I\n0.461234 0.453244 0.506992 I\n0.217975 0.169939 0.175780 I\n0.801978 0.485651 0.425422 I\n0.072472 0.579463 0.570110 I\n0.282025 0.669939 0.175780 I\n0.041495 0.245704 0.474930 I\n0.961234 0.046756 0.006992 I\n",
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{
"id": "mp-562437",
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"structure_string": "K2 Ca18 Co2 P14 O56\n1.0\n12.781867 -5.261695 0.000000\n12.781867 5.261695 0.000000\n10.615874 0.000000 8.852388\nK Ca Co P O\n2 18 2 14 56\ndirect\n0.313688 0.313688 0.313688 K\n0.813688 0.813688 0.813688 K\n0.155008 0.553139 0.589127 Ca\n0.553139 0.589127 0.155008 Ca\n0.053594 0.437269 0.028189 Ca\n0.028189 0.053594 0.437269 Ca\n0.937269 0.553594 0.528189 Ca\n0.934859 0.337579 0.924943 Ca\n0.589127 0.155008 0.553139 Ca\n0.337579 0.924943 0.934859 Ca\n0.553594 0.528189 0.937269 Ca\n0.437269 0.028189 0.053594 Ca\n0.837579 0.434859 0.424943 Ca\n0.655008 0.089127 0.053139 Ca\n0.053139 0.655008 0.089127 Ca\n0.424943 0.837579 0.434859 Ca\n0.089127 0.053139 0.655008 Ca\n0.924943 0.934859 0.337579 Ca\n0.528189 0.937269 0.553594 Ca\n0.434859 0.424943 0.837579 Ca\n0.997845 0.997845 0.997845 Co\n0.497845 0.497845 0.497845 Co\n0.310381 0.773439 0.817029 P\n0.273439 0.810381 0.317029 P\n0.184183 0.680239 0.223380 P\n0.684183 0.723380 0.180239 P\n0.317029 0.273439 0.810381 P\n0.180239 0.684183 0.723380 P\n0.729699 0.729699 0.729699 P\n0.810381 0.317029 0.273439 P\n0.223380 0.184183 0.680239 P\n0.723380 0.180239 0.684183 P\n0.680239 0.223380 0.184183 P\n0.773439 0.817029 0.310381 P\n0.817029 0.310381 0.773439 P\n0.229699 0.229699 0.229699 P\n0.625863 0.356299 0.621619 O\n0.310682 0.884369 0.327330 O\n0.736380 0.101619 0.631972 O\n0.236380 0.131972 0.601619 O\n0.607851 0.886366 0.162125 O\n0.889069 0.608925 0.731428 O\n0.384369 0.810682 0.827330 O\n0.356299 0.621619 0.625863 O\n0.327218 0.864938 0.148323 O\n0.854488 0.409364 0.100440 O\n0.608925 0.731428 0.889069 O\n0.327330 0.310682 0.884369 O\n0.858622 0.652359 0.115018 O\n0.631972 0.736380 0.101619 O\n0.148323 0.327218 0.864938 O\n0.115018 0.858622 0.652359 O\n0.652359 0.115018 0.858622 O\n0.731428 0.889069 0.608925 O\n0.101619 0.631972 0.736380 O\n0.884369 0.327330 0.310682 O\n0.231428 0.108925 0.389069 O\n0.389069 0.231428 0.108925 O\n0.188018 0.188018 0.188018 O\n0.386242 0.358646 0.633838 O\n0.615018 0.152359 0.358622 O\n0.131972 0.601619 0.236380 O\n0.909364 0.354488 0.600440 O\n0.886366 0.162125 0.607851 O\n0.162125 0.607851 0.886366 O\n0.662125 0.386366 0.107851 O\n0.633838 0.386242 0.358646 O\n0.886242 0.133838 0.858646 O\n0.856299 0.125863 0.121619 O\n0.152359 0.358622 0.615018 O\n0.688018 0.688018 0.688018 O\n0.133838 0.858646 0.886242 O\n0.601619 0.236380 0.131972 O\n0.100440 0.854488 0.409364 O\n0.827218 0.648323 0.364938 O\n0.409364 0.100440 0.854488 O\n0.648323 0.364938 0.827218 O\n0.621619 0.625863 0.356299 O\n0.827330 0.384369 0.810682 O\n0.386366 0.107851 0.662125 O\n0.354488 0.600440 0.909364 O\n0.107851 0.662125 0.386366 O\n0.858646 0.886242 0.133838 O\n0.810682 0.827330 0.384369 O\n0.358646 0.633838 0.386242 O\n0.864938 0.148323 0.327218 O\n0.125863 0.121619 0.856299 O\n0.600440 0.909364 0.354488 O\n0.364938 0.827218 0.648323 O\n0.121619 0.856299 0.125863 O\n0.358622 0.615018 0.152359 O\n0.108925 0.389069 0.231428 O\n",
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{
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