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{
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{
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"structure_string": "Cr9 P12 O48\n1.0\n7.751419 0.000000 0.000000\n0.056780 8.796212 0.000000\n0.106485 1.049058 13.120794\nCr P O\n9 12 48\ndirect\n0.524404 0.673750 0.834067 Cr\n0.858064 0.094376 0.497835 Cr\n0.492446 0.340894 0.171382 Cr\n0.637005 0.927738 0.163757 Cr\n0.024264 0.827699 0.162737 Cr\n0.998650 0.160520 0.828167 Cr\n0.471435 0.994481 0.499846 Cr\n0.999613 0.505888 0.503034 Cr\n0.139692 0.572888 0.835474 Cr\n0.784799 0.807618 0.389348 P\n0.210217 0.860499 0.944340 P\n0.193626 0.197735 0.613876 P\n0.823710 0.145076 0.051904 P\n0.298052 0.030185 0.280864 P\n0.710990 0.640130 0.053213 P\n0.804218 0.470380 0.718084 P\n0.701091 0.981933 0.723113 P\n0.673027 0.311103 0.386022 P\n0.297688 0.684927 0.609712 P\n0.192004 0.520749 0.281049 P\n0.323835 0.356786 0.948189 P\n0.863048 0.303894 0.439311 O\n0.855905 0.301932 0.744027 O\n0.938896 0.576715 0.763231 O\n0.295051 0.649216 0.734157 O\n0.636217 0.135142 0.418913 O\n0.632498 0.138688 0.105552 O\n0.434085 0.578592 0.570846 O\n0.139645 0.365216 0.589416 O\n0.354479 0.195822 0.255990 O\n0.809633 0.501425 0.601498 O\n0.641768 0.815781 0.737727 O\n0.556358 0.427166 0.427830 O\n0.792118 0.848016 0.267546 O\n0.123348 0.997609 0.233623 O\n0.883515 0.998222 0.763767 O\n0.137914 0.686885 0.255338 O\n0.059561 0.407247 0.243306 O\n0.860769 0.969315 0.085203 O\n0.889256 0.662658 0.098462 O\n0.583153 0.763701 0.099388 O\n0.864354 0.650941 0.408846 O\n0.312868 0.334644 0.064621 O\n0.702690 0.016614 0.598217 O\n0.913690 0.928990 0.430162 O\n0.116910 0.669088 0.566342 O\n0.082614 0.739413 0.898819 O\n0.292248 0.996745 0.397661 O\n0.206392 0.827429 0.060563 O\n0.388984 0.838331 0.897745 O\n0.132341 0.018048 0.917060 O\n0.061384 0.089764 0.567251 O\n0.356321 0.851609 0.595938 O\n0.566058 0.089484 0.762120 O\n0.684379 0.331014 0.269593 O\n0.134769 0.361899 0.894241 O\n0.372023 0.164630 0.569844 O\n0.815942 0.167993 0.935606 O\n0.626859 0.503971 0.763485 O\n0.940174 0.259219 0.093703 O\n0.705550 0.673976 0.936996 O\n0.179601 0.484736 0.398258 O\n0.443162 0.241236 0.907631 O\n0.187357 0.166900 0.730485 O\n0.360638 0.532096 0.914518 O\n0.606269 0.829791 0.433676 O\n0.375285 0.500475 0.237937 O\n0.437179 0.922497 0.238008 O\n0.631278 0.484879 0.083140 O\n",
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"elements": [
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"formula_full": "Cr9 P12 O48",
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"formula_anonymous": "A3B4C16",
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"updated_at": "2021-11-28T01:35:12.762000Z",
"spacegroup": 1
},
{
"id": "mp-19487",
"created_at": "2022-09-04T14:41:07.965703Z",
"structure_string": "Ba8 Mn4 P8 O32\n1.0\n5.413175 0.000000 -0.029113\n0.000000 9.117160 0.000000\n-0.014585 0.000000 16.444727\nBa Mn P O\n8 4 8 32\ndirect\n0.239821 0.657393 0.770425 Ba\n0.260179 0.157394 0.729575 Ba\n0.760178 0.342607 0.229575 Ba\n0.739822 0.842606 0.270425 Ba\n0.796295 0.202128 0.479471 Ba\n0.703705 0.702129 0.020529 Ba\n0.203706 0.797871 0.520529 Ba\n0.296294 0.297871 0.979471 Ba\n0.768301 0.017873 0.864367 Mn\n0.731698 0.517873 0.635633 Mn\n0.268303 0.482127 0.364368 Mn\n0.231698 0.982127 0.135633 Mn\n0.741451 0.895924 0.663027 P\n0.758549 0.395924 0.836973 P\n0.258550 0.104077 0.336973 P\n0.241450 0.604076 0.163027 P\n0.239728 0.904608 0.922086 P\n0.739729 0.595392 0.422086 P\n0.760271 0.095392 0.077914 P\n0.260272 0.404608 0.577914 P\n0.837536 0.989461 0.736498 O\n0.662464 0.489460 0.763502 O\n0.162464 0.010539 0.263501 O\n0.337537 0.510539 0.236498 O\n0.453530 0.887615 0.665773 O\n0.046470 0.387614 0.834227 O\n0.546469 0.112386 0.334226 O\n0.953531 0.612386 0.165774 O\n0.858492 0.739056 0.669632 O\n0.641509 0.239056 0.830368 O\n0.141509 0.260944 0.330368 O\n0.358492 0.760945 0.169632 O\n0.828832 0.967623 0.582311 O\n0.671170 0.467622 0.917689 O\n0.171169 0.032378 0.417689 O\n0.328831 0.532377 0.082311 O\n0.476861 0.851677 0.876504 O\n0.023137 0.351678 0.623496 O\n0.523138 0.148323 0.123496 O\n0.976862 0.648322 0.376504 O\n0.790379 0.598043 0.514041 O\n0.709621 0.098044 0.985959 O\n0.209622 0.401956 0.485959 O\n0.290378 0.901956 0.014041 O\n0.520829 0.698588 0.399300 O\n0.979170 0.198588 0.100700 O\n0.168782 0.060001 0.888962 O\n0.020829 0.801412 0.899299 O\n0.668783 0.439999 0.388962 O\n0.831217 0.939999 0.111038 O\n0.331218 0.560001 0.611038 O\n0.479170 0.301412 0.600701 O\n",
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"formula_full": "Ba8 Mn4 P8 O32",
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{
"id": "mp-1214477",
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"structure_string": "Ba4 Cd4 Fe4 F28\n1.0\n2.761681 7.028377 0.000000\n-2.761681 7.028377 0.000000\n0.000000 0.512401 15.286158\nBa Cd Fe F\n4 4 4 28\ndirect\n0.649742 0.731538 0.876577 Ba\n0.350258 0.268462 0.123423 Ba\n0.268462 0.350258 0.623423 Ba\n0.731538 0.649742 0.376577 Ba\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.951823 0.048177 0.750000 Cd\n0.048177 0.951823 0.250000 Cd\n0.381987 0.373548 0.874757 Fe\n0.618013 0.626452 0.125243 Fe\n0.626452 0.618013 0.625243 Fe\n0.373548 0.381987 0.374757 Fe\n0.427971 0.744740 0.517331 F\n0.572029 0.255260 0.482669 F\n0.255260 0.572029 0.982669 F\n0.744740 0.427971 0.017331 F\n0.687087 0.817155 0.591825 F\n0.312913 0.182845 0.408175 F\n0.182845 0.312913 0.908175 F\n0.817155 0.687087 0.091825 F\n0.546982 0.121796 0.778261 F\n0.453018 0.878204 0.221739 F\n0.878204 0.453018 0.721739 F\n0.121796 0.546982 0.278261 F\n0.604283 0.383104 0.656057 F\n0.395717 0.616896 0.343943 F\n0.616896 0.395717 0.843943 F\n0.383104 0.604283 0.156057 F\n0.345322 0.899172 0.701350 F\n0.654678 0.100828 0.298650 F\n0.100828 0.654678 0.798650 F\n0.899172 0.345322 0.201350 F\n0.663979 0.063080 0.951061 F\n0.336021 0.936920 0.048939 F\n0.936920 0.336021 0.548939 F\n0.063080 0.663979 0.451061 F\n0.837376 0.037095 0.128871 F\n0.162624 0.962905 0.871129 F\n0.962905 0.162624 0.371129 F\n0.037095 0.837376 0.628871 F\n",
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}
]
}