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{
"id": "mp-26531",
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"structure_string": "Li2 Cu4 P6 O20\n1.0\n8.326593 0.000000 0.000000\n0.000000 4.698003 0.000000\n0.000000 2.110153 9.092955\nLi Cu P O\n2 4 6 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.435767 0.041287 0.667725 Cu\n0.935767 0.958713 0.332275 Cu\n0.064233 0.041287 0.667725 Cu\n0.564233 0.958713 0.332275 Cu\n0.250000 0.593937 0.453907 P\n0.250000 0.336785 0.178244 P\n0.250000 0.474259 0.861096 P\n0.750000 0.406063 0.546093 P\n0.750000 0.663215 0.821756 P\n0.750000 0.525741 0.138904 P\n0.902917 0.693207 0.147569 O\n0.250000 0.570430 0.023408 O\n0.403199 0.761442 0.470859 O\n0.596159 0.838413 0.812345 O\n0.096801 0.761442 0.470859 O\n0.597083 0.693207 0.147569 O\n0.750000 0.429570 0.976592 O\n0.097083 0.306793 0.852431 O\n0.250000 0.287174 0.558670 O\n0.403841 0.161587 0.187655 O\n0.596801 0.238558 0.529141 O\n0.903841 0.838413 0.812345 O\n0.250000 0.783595 0.755278 O\n0.750000 0.216405 0.244722 O\n0.903199 0.238558 0.529141 O\n0.750000 0.712826 0.441330 O\n0.096159 0.161587 0.187655 O\n0.750000 0.449155 0.713330 O\n0.250000 0.550845 0.286670 O\n0.402917 0.306793 0.852431 O\n",
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},
{
"id": "mp-1111716",
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"structure_string": "Rb2 Sb1 Au1 Br6\n1.0\n0.000000 5.637466 5.637466\n5.637466 0.000000 5.637466\n5.637466 5.637466 0.000000\nRb Sb Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.749601 0.250399 0.250399 Br\n0.250399 0.250399 0.749601 Br\n0.250399 0.749601 0.749601 Br\n0.250399 0.749601 0.250399 Br\n0.749601 0.250399 0.749601 Br\n0.749601 0.749601 0.250399 Br\n",
"nsites": 10,
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"elements": [
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"formula_full": "Rb2 Sb1 Au1 Br6",
"formula_reduced": "Rb2SbAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -31.9351136,
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"spacegroup": 225
},
{
"id": "mp-1038225",
"created_at": "2022-09-04T14:39:49.387429Z",
"structure_string": "Cs1 Mg30 Al1 O32\n1.0\n8.668696 0.000000 0.000000\n0.000000 8.668696 0.000000\n0.000000 0.000000 8.595764\nCs Mg Al O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Cs\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.256660 0.000000 0.247834 Mg\n0.256660 0.000000 0.752166 Mg\n0.743340 0.000000 0.247834 Mg\n0.743340 0.000000 0.752166 Mg\n0.250246 0.500000 0.251058 Mg\n0.250246 0.500000 0.748942 Mg\n0.749754 0.500000 0.251058 Mg\n0.749754 0.500000 0.748942 Mg\n0.000000 0.256660 0.247834 Mg\n0.000000 0.256660 0.752166 Mg\n0.500000 0.250246 0.251058 Mg\n0.500000 0.250246 0.748942 Mg\n0.000000 0.743340 0.247834 Mg\n0.000000 0.743340 0.752166 Mg\n0.500000 0.749754 0.251058 Mg\n0.500000 0.749754 0.748942 Mg\n0.250472 0.250472 0.000000 Mg\n0.254747 0.254747 0.500000 Mg\n0.749528 0.250472 0.000000 Mg\n0.745253 0.254747 0.500000 Mg\n0.250472 0.749528 0.000000 Mg\n0.254747 0.745253 0.500000 Mg\n0.749528 0.749528 0.000000 Mg\n0.745253 0.745253 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.243641 0.000000 O\n0.000000 0.284755 0.500000 O\n0.500000 0.249559 0.000000 O\n0.500000 0.256444 0.500000 O\n0.000000 0.756359 0.000000 O\n0.000000 0.715245 0.500000 O\n0.500000 0.750441 0.000000 O\n0.500000 0.743556 0.500000 O\n0.248735 0.248735 0.250213 O\n0.248735 0.248735 0.749787 O\n0.751265 0.248735 0.250213 O\n0.751265 0.248735 0.749787 O\n0.248735 0.751265 0.250213 O\n0.248735 0.751265 0.749787 O\n0.751265 0.751265 0.250213 O\n0.751265 0.751265 0.749787 O\n0.000000 0.000000 0.205288 O\n0.000000 0.000000 0.794712 O\n0.500000 0.000000 0.240880 O\n0.500000 0.000000 0.759120 O\n0.000000 0.500000 0.240880 O\n0.000000 0.500000 0.759120 O\n0.500000 0.500000 0.247591 O\n0.500000 0.500000 0.752409 O\n0.243641 0.000000 0.000000 O\n0.284755 0.000000 0.500000 O\n0.756359 0.000000 0.000000 O\n0.715245 0.000000 0.500000 O\n0.249559 0.500000 0.000000 O\n0.256444 0.500000 0.500000 O\n0.750441 0.500000 0.000000 O\n0.743556 0.500000 0.500000 O\n",
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"elements": [
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"O"
],
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"volume": 645.9397772416958,
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"formula_full": "Cs1 Mg30 Al1 O32",
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"updated_at": "2021-11-28T01:34:39.758000Z",
"spacegroup": 123
},
{
"id": "mp-772643",
"created_at": "2022-09-04T14:40:07.666886Z",
"structure_string": "Li24 V8 P16 O64\n1.0\n5.067744 0.000000 0.000000\n0.000000 12.314857 0.000000\n0.000000 0.000000 18.009620\nLi V P O\n24 8 16 64\ndirect\n0.053486 0.353067 0.751092 Li\n0.053486 0.146933 0.251092 Li\n0.067007 0.461167 0.939704 Li\n0.067007 0.038833 0.439704 Li\n0.038346 0.715372 0.581526 Li\n0.038346 0.784628 0.081526 Li\n0.452592 0.032889 0.179733 Li\n0.452592 0.467111 0.679733 Li\n0.413942 0.791585 0.828198 Li\n0.413942 0.708415 0.328198 Li\n0.459659 0.607556 0.514253 Li\n0.459659 0.892444 0.014253 Li\n0.540341 0.107556 0.514253 Li\n0.540341 0.392444 0.014253 Li\n0.586058 0.208415 0.328198 Li\n0.586058 0.291585 0.828198 Li\n0.547408 0.532889 0.179733 Li\n0.547408 0.967111 0.679733 Li\n0.961654 0.284628 0.081526 Li\n0.961654 0.215372 0.581526 Li\n0.932993 0.961167 0.939704 Li\n0.932993 0.538833 0.439704 Li\n0.946514 0.853067 0.751092 Li\n0.946514 0.646933 0.251092 Li\n0.087810 0.098457 0.763522 V\n0.087810 0.401543 0.263522 V\n0.430145 0.152005 0.007424 V\n0.430145 0.347995 0.507424 V\n0.569855 0.652005 0.007424 V\n0.569855 0.847995 0.507424 V\n0.912190 0.598457 0.763522 V\n0.912190 0.901543 0.263522 V\n0.002272 0.719139 0.919917 P\n0.002272 0.780861 0.419917 P\n0.043072 0.968461 0.596707 P\n0.043072 0.531539 0.096707 P\n0.445506 0.722144 0.674235 P\n0.445506 0.777856 0.174235 P\n0.481429 0.532620 0.850703 P\n0.481429 0.967380 0.350703 P\n0.518571 0.032620 0.850703 P\n0.518571 0.467380 0.350703 P\n0.554494 0.222144 0.674235 P\n0.554494 0.277856 0.174235 P\n0.956928 0.031539 0.096707 P\n0.956928 0.468461 0.596707 P\n0.997728 0.219139 0.919917 P\n0.997728 0.280861 0.419917 P\n0.003052 0.483937 0.682561 O\n0.003052 0.016063 0.182561 O\n0.029381 0.735480 0.834321 O\n0.029381 0.764520 0.334321 O\n0.092578 0.103990 0.940434 O\n0.092578 0.396010 0.440434 O\n0.072989 0.563153 0.551260 O\n0.072989 0.936847 0.051260 O\n0.113694 0.362591 0.580364 O\n0.113694 0.137409 0.080364 O\n0.145338 0.708341 0.693704 O\n0.145338 0.791659 0.193704 O\n0.209780 0.294093 0.956412 O\n0.209780 0.205907 0.456412 O\n0.209431 0.505246 0.815961 O\n0.209431 0.994754 0.315961 O\n0.277458 0.745733 0.952872 O\n0.277458 0.754267 0.452872 O\n0.301743 0.543060 0.318550 O\n0.301743 0.956940 0.818550 O\n0.344429 0.545308 0.080170 O\n0.344429 0.954692 0.580170 O\n0.397650 0.116487 0.688914 O\n0.397650 0.383513 0.188914 O\n0.435243 0.182462 0.217590 O\n0.435243 0.317538 0.717590 O\n0.447392 0.981388 0.436852 O\n0.447392 0.518612 0.936852 O\n0.452958 0.736367 0.587309 O\n0.452958 0.763633 0.087309 O\n0.425369 0.147419 0.828972 O\n0.425369 0.352581 0.328972 O\n0.574631 0.647419 0.828972 O\n0.574631 0.852581 0.328972 O\n0.547042 0.263633 0.087309 O\n0.547042 0.236367 0.587309 O\n0.552608 0.481388 0.436852 O\n0.552608 0.018612 0.936852 O\n0.564757 0.682462 0.217590 O\n0.564757 0.817538 0.717590 O\n0.602350 0.616487 0.688914 O\n0.602350 0.883513 0.188914 O\n0.655571 0.045308 0.080170 O\n0.655571 0.454692 0.580170 O\n0.698257 0.456940 0.818550 O\n0.698257 0.043060 0.318550 O\n0.722542 0.254267 0.452872 O\n0.722542 0.245733 0.952872 O\n0.790569 0.494754 0.315961 O\n0.790569 0.005246 0.815961 O\n0.790220 0.794093 0.956412 O\n0.790220 0.705907 0.456412 O\n0.854662 0.208341 0.693704 O\n0.854662 0.291659 0.193704 O\n0.886306 0.637409 0.080364 O\n0.886306 0.862591 0.580364 O\n0.927011 0.436847 0.051260 O\n0.927011 0.063153 0.551260 O\n0.907422 0.603990 0.940434 O\n0.907422 0.896010 0.440434 O\n0.970619 0.235480 0.834321 O\n0.970619 0.264520 0.334321 O\n0.996948 0.516063 0.182561 O\n0.996948 0.983937 0.682561 O\n",
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{
"id": "mp-776447",
"created_at": "2022-09-04T14:39:59.273740Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n5.861842 0.000000 0.000000\n-1.738566 8.102951 0.000000\n-1.924871 -3.985918 7.913437\nLi Mn B O\n4 6 6 18\ndirect\n0.043985 0.387192 0.224175 Li\n0.402340 0.719298 0.886366 Li\n0.919640 0.612902 0.771084 Li\n0.723084 0.059671 0.558919 Li\n0.237476 0.991203 0.789146 Mn\n0.121865 0.370188 0.887294 Mn\n0.439048 0.690659 0.542394 Mn\n0.537791 0.295839 0.440840 Mn\n0.882650 0.642439 0.132971 Mn\n0.769338 0.020668 0.196953 Mn\n0.103232 0.365707 0.543648 B\n0.217519 0.953976 0.106331 B\n0.443783 0.704916 0.225403 B\n0.566888 0.312687 0.788312 B\n0.785830 0.033767 0.881459 B\n0.892014 0.630263 0.460332 B\n0.155131 0.851729 0.936264 O\n0.130511 0.756059 0.557483 O\n0.053653 0.929201 0.194753 O\n0.172390 0.477605 0.714241 O\n0.241220 0.413590 0.447556 O\n0.221175 0.561777 0.145186 O\n0.568846 0.883123 0.801326 O\n0.422022 0.267343 0.878194 O\n0.540277 0.805274 0.397189 O\n0.504709 0.206717 0.618459 O\n0.571759 0.749675 0.122988 O\n0.455581 0.078814 0.202669 O\n0.784407 0.464705 0.876258 O\n0.732915 0.598605 0.552820 O\n0.821834 0.529160 0.292141 O\n0.914290 0.083479 0.784381 O\n0.889067 0.214333 0.456241 O\n0.870273 0.136951 0.054718 O\n",
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"formula_full": "Li4 Mn6 B6 O18",
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{
"id": "mp-1037838",
"created_at": "2022-09-04T14:39:49.384372Z",
"structure_string": "Mg30 Mn1 Nb1 O32\n1.0\n8.566464 0.000000 0.000000\n0.000000 8.566464 0.000000\n0.000000 0.000000 8.586268\nMg Mn Nb O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.252721 0.248921 Mg\n0.000000 0.252721 0.751079 Mg\n0.000000 0.747279 0.248921 Mg\n0.000000 0.747279 0.751079 Mg\n0.500000 0.250053 0.249892 Mg\n0.500000 0.250053 0.750108 Mg\n0.500000 0.749947 0.249892 Mg\n0.500000 0.749947 0.750108 Mg\n0.252721 0.000000 0.248921 Mg\n0.252721 0.000000 0.751079 Mg\n0.250053 0.500000 0.249892 Mg\n0.250053 0.500000 0.750108 Mg\n0.747279 0.000000 0.248921 Mg\n0.747279 0.000000 0.751079 Mg\n0.749947 0.500000 0.249892 Mg\n0.749947 0.500000 0.750108 Mg\n0.250829 0.250829 0.000000 Mg\n0.251743 0.251743 0.500000 Mg\n0.250829 0.749171 0.000000 Mg\n0.251743 0.748257 0.500000 Mg\n0.749171 0.250829 0.000000 Mg\n0.748257 0.251743 0.500000 Mg\n0.749171 0.749171 0.000000 Mg\n0.748257 0.748257 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Nb\n0.257934 0.000000 0.000000 O\n0.262473 0.000000 0.500000 O\n0.251070 0.500000 0.000000 O\n0.251553 0.500000 0.500000 O\n0.742066 0.000000 0.000000 O\n0.737527 0.000000 0.500000 O\n0.748930 0.500000 0.000000 O\n0.748447 0.500000 0.500000 O\n0.249486 0.249486 0.250071 O\n0.249486 0.249486 0.749929 O\n0.249486 0.750514 0.250071 O\n0.249486 0.750514 0.749929 O\n0.750514 0.249486 0.250071 O\n0.750514 0.249486 0.749929 O\n0.750514 0.750514 0.250071 O\n0.750514 0.750514 0.749929 O\n0.000000 0.000000 0.242513 O\n0.000000 0.000000 0.757487 O\n0.000000 0.500000 0.249420 O\n0.000000 0.500000 0.750580 O\n0.500000 0.000000 0.249420 O\n0.500000 0.000000 0.750580 O\n0.500000 0.500000 0.249896 O\n0.500000 0.500000 0.750104 O\n0.000000 0.257934 0.000000 O\n0.000000 0.262473 0.500000 O\n0.000000 0.742066 0.000000 O\n0.000000 0.737527 0.500000 O\n0.500000 0.251070 0.000000 O\n0.500000 0.251553 0.500000 O\n0.500000 0.748930 0.000000 O\n0.500000 0.748447 0.500000 O\n",
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}