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{
"id": "mp-1235038",
"created_at": "2022-09-04T14:42:59.570491Z",
"structure_string": "Ba3 Li1 As2 O8\n1.0\n5.618398 0.091003 6.150998\n2.447118 5.058290 6.150998\n0.142541 0.091003 8.329517\nBa Li As O\n3 1 2 8\ndirect\n0.791877 0.791877 0.791877 Ba\n0.208123 0.208123 0.208123 Ba\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Li\n0.602465 0.602465 0.602465 As\n0.397535 0.397535 0.397535 As\n0.679354 0.679354 0.679354 O\n0.320646 0.320646 0.320646 O\n0.721547 0.721547 0.254494 O\n0.721547 0.254494 0.721547 O\n0.254494 0.721547 0.721547 O\n0.278453 0.745506 0.278453 O\n0.278453 0.278453 0.745506 O\n0.745506 0.278453 0.278453 O\n",
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"density": 5.058238459356459,
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"formula_full": "Ba3 Li1 As2 O8",
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"updated_at": "2021-11-28T01:36:08.376000Z",
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{
"id": "mp-530455",
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"structure_string": "La24 Mn22 O72\n1.0\n11.283875 0.046264 0.000000\n5.665056 5.599771 0.000000\n0.000000 0.000000 23.590963\nLa Mn O\n24 22 72\ndirect\n0.010837 0.507290 0.084913 La\n0.010384 0.509467 0.415700 La\n0.031181 0.511740 0.744027 La\n0.485254 0.989792 0.247723 La\n0.466139 0.024401 0.587377 La\n0.481322 0.007707 0.918100 La\n0.018678 0.992293 0.415234 La\n0.014746 0.010208 0.085610 La\n0.033861 0.975599 0.745956 La\n0.489163 0.492710 0.248420 La\n0.468819 0.488260 0.589306 La\n0.489616 0.490533 0.917634 La\n0.531181 0.511740 0.089306 La\n0.510384 0.509467 0.417634 La\n0.510837 0.507290 0.748420 La\n0.966139 0.024401 0.245956 La\n0.985254 0.989792 0.585610 La\n0.981322 0.007707 0.915234 La\n0.518678 0.992293 0.418100 La\n0.533861 0.975599 0.087377 La\n0.514746 0.010208 0.747723 La\n0.968819 0.488260 0.244027 La\n0.989163 0.492710 0.584913 La\n0.989616 0.490533 0.915700 La\n0.250000 0.000000 0.166667 Mn\n0.246414 0.000319 0.500393 Mn\n0.253586 0.999681 0.832940 Mn\n0.253639 0.996312 0.000221 Mn\n0.246361 0.003688 0.333112 Mn\n0.250000 0.000000 0.666667 Mn\n0.246918 0.500426 0.330901 Mn\n0.250000 0.500000 0.166667 Mn\n0.253082 0.499574 0.002432 Mn\n0.246041 0.501080 0.498059 Mn\n0.253959 0.498920 0.835274 Mn\n0.753639 0.996312 0.833112 Mn\n0.750000 0.000000 0.166667 Mn\n0.746361 0.003688 0.500221 Mn\n0.750000 0.000000 0.666667 Mn\n0.753586 0.999681 0.000393 Mn\n0.746414 0.000319 0.332940 Mn\n0.746918 0.500426 0.502432 Mn\n0.753082 0.499574 0.830901 Mn\n0.753959 0.498920 0.998059 Mn\n0.746041 0.501080 0.335274 Mn\n0.750000 0.500000 0.666667 Mn\n0.199344 0.079144 0.084263 O\n0.201431 0.077438 0.417197 O\n0.207862 0.079317 0.749571 O\n0.211092 0.280099 0.318276 O\n0.204493 0.288334 0.179728 O\n0.215390 0.280107 0.512110 O\n0.210505 0.270283 0.653194 O\n0.224929 0.277200 0.848749 O\n0.219892 0.274827 0.985537 O\n0.001829 0.776803 0.347099 O\n0.981599 0.812725 0.679917 O\n0.007314 0.777896 0.014697 O\n-0.000810 0.795284 0.154185 O\n0.003761 0.783262 0.820396 O\n0.997253 0.782063 0.483827 O\n0.278916 0.420916 0.416697 O\n0.279349 0.415878 0.085121 O\n0.284161 0.431646 0.757602 O\n0.220651 0.584122 0.248212 O\n0.215839 0.568354 0.575731 O\n0.221084 0.579084 0.916637 O\n0.492686 0.222104 0.318636 O\n0.500810 0.204716 0.179148 O\n0.502747 0.217937 0.849507 O\n0.496239 0.216738 0.512937 O\n0.518401 0.187275 0.653416 O\n0.498171 0.223197 0.986235 O\n0.280108 0.725173 0.347797 O\n0.288908 0.719901 0.015057 O\n0.295507 0.711666 0.153605 O\n0.275071 0.722800 0.484585 O\n0.289495 0.729717 0.680139 O\n0.284610 0.719893 0.821223 O\n0.699344 0.079144 0.749070 O\n0.707862 0.079317 0.083762 O\n0.701431 0.077438 0.416137 O\n0.300656 0.920856 0.249070 O\n0.292138 0.920683 0.583762 O\n0.298569 0.922562 0.916137 O\n0.715390 0.280107 0.321223 O\n0.710505 0.270283 0.180139 O\n0.711092 0.280099 0.515057 O\n0.704493 0.288334 0.653605 O\n0.719892 0.274827 0.847797 O\n0.724929 0.277200 0.984585 O\n0.503761 0.783262 0.012937 O\n0.481599 0.812725 0.153416 O\n0.497253 0.782063 0.349507 O\n0.499190 0.795284 0.679148 O\n0.507314 0.777896 0.818636 O\n0.501829 0.776803 0.486235 O\n0.778916 0.420916 0.416637 O\n0.779349 0.415878 0.748212 O\n0.784161 0.431646 0.075731 O\n0.720651 0.584122 0.585121 O\n0.715839 0.568354 0.257602 O\n0.721084 0.579084 0.916697 O\n0.998171 0.223197 0.847099 O\n0.996239 0.216738 0.320396 O\n0.018401 0.187275 0.179917 O\n0.992686 0.222104 0.514697 O\n1.000810 0.204716 0.654185 O\n0.002747 0.217937 0.983827 O\n0.780108 0.725173 0.485537 O\n0.775071 0.722800 0.348749 O\n0.784610 0.719893 0.012110 O\n0.789495 0.729717 0.153194 O\n0.795507 0.711666 0.679728 O\n0.788908 0.719901 0.818276 O\n0.800656 0.920856 0.584263 O\n0.792138 0.920683 0.249571 O\n0.798569 0.922562 0.917197 O\n",
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"elements": [
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"volume": 1484.4620035908406,
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"formula_full": "La24 Mn22 O72",
"formula_reduced": "La12Mn11O36",
"formula_anonymous": "A11B12C36",
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"updated_at": "2021-11-28T01:35:52.986000Z",
"spacegroup": 14
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{
"id": "mp-570806",
"created_at": "2022-09-04T14:42:52.279608Z",
"structure_string": "Mg60 Al48 Ag38\n1.0\n14.146460 0.000000 0.000000\n0.000000 14.146460 0.000000\n0.000000 0.000000 14.146460\nMg Al Ag\n60 48 38\ndirect\n0.308083 0.879036 0.187735 Mg\n0.879036 0.812265 0.308083 Mg\n0.187735 0.308083 0.120964 Mg\n0.891747 0.000000 0.177162 Mg\n0.120964 0.812265 0.691917 Mg\n0.324746 0.386486 0.500000 Mg\n0.120964 0.187735 0.691917 Mg\n0.812265 0.308083 0.120964 Mg\n0.500000 0.324746 0.386486 Mg\n0.000000 0.822838 0.108253 Mg\n0.500000 0.324746 0.613514 Mg\n0.000000 0.382424 0.000000 Mg\n0.308083 0.120964 0.187735 Mg\n0.879036 0.812265 0.691917 Mg\n0.108253 0.000000 0.822838 Mg\n0.822838 0.108253 0.000000 Mg\n0.812265 0.308083 0.879036 Mg\n0.187735 0.691917 0.120964 Mg\n0.500000 0.500000 0.116913 Mg\n0.000000 0.000000 0.382424 Mg\n0.187735 0.691917 0.879036 Mg\n0.000000 0.177162 0.891747 Mg\n0.691917 0.879036 0.812265 Mg\n0.500000 0.675254 0.386486 Mg\n0.000000 0.177162 0.108253 Mg\n0.891747 0.000000 0.822838 Mg\n0.382424 0.000000 0.000000 Mg\n0.883087 0.500000 0.500000 Mg\n0.177162 0.891747 0.000000 Mg\n0.617576 0.000000 0.000000 Mg\n0.187735 0.308083 0.879036 Mg\n0.000000 0.822838 0.891747 Mg\n0.108253 0.000000 0.177162 Mg\n0.324746 0.613514 0.500000 Mg\n0.500000 0.500000 0.883087 Mg\n0.879036 0.187735 0.308083 Mg\n0.675254 0.386486 0.500000 Mg\n0.613514 0.500000 0.675254 Mg\n0.308083 0.120964 0.812265 Mg\n0.120964 0.812265 0.308083 Mg\n0.308083 0.879036 0.812265 Mg\n0.177162 0.108253 0.000000 Mg\n0.675254 0.613514 0.500000 Mg\n0.812265 0.691917 0.879036 Mg\n0.000000 0.617576 0.000000 Mg\n0.879036 0.187735 0.691917 Mg\n0.691917 0.879036 0.187735 Mg\n0.500000 0.675254 0.613514 Mg\n0.120964 0.187735 0.308083 Mg\n0.000000 0.000000 0.617576 Mg\n0.386486 0.500000 0.675254 Mg\n0.500000 0.883087 0.500000 Mg\n0.500000 0.116913 0.500000 Mg\n0.613514 0.500000 0.324746 Mg\n0.691917 0.120964 0.187735 Mg\n0.116913 0.500000 0.500000 Mg\n0.822838 0.891747 0.000000 Mg\n0.386486 0.500000 0.324746 Mg\n0.812265 0.691917 0.120964 Mg\n0.691917 0.120964 0.812265 Mg\n0.603439 0.676812 0.808961 Al\n0.323188 0.191039 0.396561 Al\n0.665716 0.594870 0.000000 Al\n0.676812 0.191039 0.396561 Al\n0.191039 0.396561 0.676812 Al\n0.396561 0.676812 0.808961 Al\n0.405130 0.000000 0.665716 Al\n0.323188 0.191039 0.603439 Al\n0.808961 0.396561 0.676812 Al\n0.191039 0.396561 0.323188 Al\n0.808961 0.396561 0.323188 Al\n0.676812 0.191039 0.603439 Al\n0.323188 0.808961 0.396561 Al\n0.500000 0.830141 0.096705 Al\n0.665716 0.405130 0.000000 Al\n0.334284 0.594870 0.000000 Al\n0.603439 0.676812 0.191039 Al\n0.096705 0.500000 0.169859 Al\n0.396561 0.323188 0.191039 Al\n0.000000 0.665716 0.405130 Al\n0.000000 0.665716 0.594870 Al\n0.500000 0.830141 0.903295 Al\n0.096705 0.500000 0.830141 Al\n0.808961 0.603439 0.323188 Al\n0.500000 0.169859 0.903295 Al\n0.903295 0.500000 0.830141 Al\n0.500000 0.169859 0.096705 Al\n0.676812 0.808961 0.603439 Al\n0.000000 0.334284 0.405130 Al\n0.396561 0.323188 0.808961 Al\n0.334284 0.405130 0.000000 Al\n0.603439 0.323188 0.191039 Al\n0.191039 0.603439 0.323188 Al\n0.000000 0.334284 0.594870 Al\n0.830141 0.903295 0.500000 Al\n0.594870 0.000000 0.665716 Al\n0.396561 0.676812 0.191039 Al\n0.808961 0.603439 0.676812 Al\n0.603439 0.323188 0.808961 Al\n0.594870 0.000000 0.334284 Al\n0.191039 0.603439 0.676812 Al\n0.169859 0.903295 0.500000 Al\n0.676812 0.808961 0.396561 Al\n0.903295 0.500000 0.169859 Al\n0.169859 0.096705 0.500000 Al\n0.323188 0.808961 0.603439 Al\n0.405130 0.000000 0.334284 Al\n0.830141 0.096705 0.500000 Al\n0.500000 0.000000 0.835198 Ag\n0.000000 0.332949 0.785749 Ag\n0.500000 0.835993 0.287959 Ag\n0.667051 0.785749 0.000000 Ag\n0.287959 0.500000 0.164007 Ag\n0.500000 0.000000 0.164802 Ag\n0.000000 0.667051 0.214251 Ag\n0.785749 0.000000 0.332949 Ag\n0.000000 0.835198 0.500000 Ag\n0.332949 0.214251 0.000000 Ag\n0.500000 0.333585 0.000000 Ag\n0.785749 0.000000 0.667051 Ag\n0.287959 0.500000 0.835993 Ag\n0.835993 0.287959 0.500000 Ag\n0.164007 0.287959 0.500000 Ag\n0.500000 0.666415 0.000000 Ag\n0.667051 0.214251 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.835198 0.500000 0.000000 Ag\n0.500000 0.835993 0.712041 Ag\n0.666415 0.000000 0.500000 Ag\n0.000000 0.332949 0.214251 Ag\n0.214251 0.000000 0.667051 Ag\n0.000000 0.164802 0.500000 Ag\n0.214251 0.000000 0.332949 Ag\n0.164802 0.500000 0.000000 Ag\n0.712041 0.500000 0.835993 Ag\n0.500000 0.164007 0.287959 Ag\n0.712041 0.500000 0.164007 Ag\n0.000000 0.500000 0.666415 Ag\n0.332949 0.785749 0.000000 Ag\n0.500000 0.164007 0.712041 Ag\n0.835993 0.712041 0.500000 Ag\n0.164007 0.712041 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.333585 Ag\n0.333585 0.000000 0.500000 Ag\n0.000000 0.667051 0.785749 Ag\n",
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{
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"structure_string": "Na4 Sr8 Al4 P12\n1.0\n4.546312 6.750418 0.000000\n-4.546312 6.750418 0.000000\n0.000000 3.346343 11.077448\nNa Sr Al P\n4 8 4 12\ndirect\n0.301036 0.698964 0.000000 Na\n0.357280 0.357280 0.231156 Na\n0.642720 0.642720 0.768844 Na\n0.698964 0.301036 0.000000 Na\n0.748760 0.192405 0.685849 Sr\n0.251240 0.807595 0.314151 Sr\n0.192405 0.748760 0.685849 Sr\n0.500000 0.000000 0.500000 Sr\n0.807595 0.251240 0.314151 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.697515 0.697515 0.267444 Al\n0.090141 0.090141 0.882190 Al\n0.909859 0.909859 0.117810 Al\n0.302485 0.302485 0.732556 Al\n0.021044 0.612722 0.228534 P\n0.590700 0.590700 0.136620 P\n0.978956 0.387278 0.771466 P\n0.087175 0.087175 0.486492 P\n0.586435 0.586435 0.487893 P\n0.909830 0.909830 0.905851 P\n0.090170 0.090170 0.094149 P\n0.409300 0.409300 0.863380 P\n0.612722 0.021044 0.228534 P\n0.912825 0.912825 0.513508 P\n0.387278 0.978956 0.771466 P\n0.413565 0.413565 0.512107 P\n",
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{
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"structure_string": "Mg4 Sc8 O16\n1.0\n0.000000 -3.075766 0.000000\n-9.328585 0.000000 0.000000\n0.000000 0.000000 -10.899932\nMg Sc O\n4 8 16\ndirect\n0.750000 0.743085 0.145845 Mg\n0.750000 0.243085 0.354155 Mg\n0.250000 0.256915 0.854155 Mg\n0.250000 0.756915 0.645845 Mg\n0.750000 0.084699 0.607482 Sc\n0.750000 0.584699 0.892518 Sc\n0.250000 0.915301 0.392518 Sc\n0.250000 0.415301 0.107482 Sc\n0.750000 0.069502 0.117195 Sc\n0.750000 0.569502 0.382805 Sc\n0.250000 0.930498 0.882805 Sc\n0.250000 0.430498 0.617195 Sc\n0.750000 0.292119 0.687101 O\n0.750000 0.792119 0.812899 O\n0.250000 0.707881 0.312899 O\n0.250000 0.207881 0.187101 O\n0.750000 0.367734 0.969455 O\n0.750000 0.867734 0.530545 O\n0.250000 0.632266 0.030545 O\n0.250000 0.132266 0.469455 O\n0.750000 0.976550 0.286417 O\n0.750000 0.476550 0.213583 O\n0.250000 0.023450 0.713583 O\n0.250000 0.523450 0.786417 O\n0.750000 0.086676 0.922265 O\n0.750000 0.586676 0.577735 O\n0.250000 0.913324 0.077735 O\n0.250000 0.413324 0.422265 O\n",
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{
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"structure_string": "Sr2 Cd1 Pt2\n1.0\n-2.296825 2.993708 4.645450\n2.296825 -2.993708 4.645450\n2.296825 2.993708 -4.645450\nSr Cd Pt\n2 1 2\ndirect\n0.299962 0.799962 0.500000 Sr\n0.700038 0.200038 0.500000 Sr\n0.000000 0.000000 0.000000 Cd\n0.726956 0.500000 0.226956 Pt\n0.273044 0.500000 0.773044 Pt\n",
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