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{
"id": "mp-720197",
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"structure_string": "K16 Ge4 H16 N8 O12\n1.0\n6.535517 0.000000 0.000000\n0.000000 11.112964 0.000000\n0.000000 3.488272 11.943809\nK Ge H N O\n16 4 16 8 12\ndirect\n0.605779 0.367451 0.614386 K\n0.105779 0.632549 0.885614 K\n0.394221 0.632549 0.385614 K\n0.894221 0.367451 0.114386 K\n0.622478 0.487957 0.853201 K\n0.122478 0.512043 0.646799 K\n0.377522 0.512043 0.146799 K\n0.877522 0.487957 0.353201 K\n0.679243 0.151513 0.902428 K\n0.179243 0.848487 0.597572 K\n0.320757 0.848487 0.097572 K\n0.820757 0.151513 0.402428 K\n0.620827 0.805996 0.821976 K\n0.120827 0.194004 0.678024 K\n0.379173 0.194004 0.178024 K\n0.879173 0.805996 0.321976 K\n0.694729 0.696855 0.598987 Ge\n0.194729 0.303145 0.901013 Ge\n0.305271 0.303145 0.401013 Ge\n0.805271 0.696855 0.098987 Ge\n0.681313 0.928588 0.559982 H\n0.181313 0.071412 0.940018 H\n0.318687 0.071412 0.440018 H\n0.818687 0.928588 0.059982 H\n0.572530 0.888000 0.457712 H\n0.072530 0.112000 0.042288 H\n0.427470 0.112000 0.542288 H\n0.927470 0.888000 0.957712 H\n0.694204 0.025806 0.170911 H\n0.194204 0.974194 0.329089 H\n0.305796 0.974194 0.829089 H\n0.805796 0.025806 0.670911 H\n0.581104 0.073327 0.691957 H\n0.081104 0.926673 0.808043 H\n0.418896 0.926673 0.308043 H\n0.918896 0.073327 0.191957 H\n0.701214 0.872129 0.507923 N\n0.201214 0.127871 0.992077 N\n0.298786 0.127871 0.492077 N\n0.798786 0.872129 0.007923 N\n0.724652 0.107090 0.665903 N\n0.224652 0.892910 0.834097 N\n0.275348 0.892910 0.334097 N\n0.775348 0.107090 0.165903 N\n0.731924 0.609211 0.005999 O\n0.231924 0.390789 0.494001 O\n0.268076 0.390789 0.994001 O\n0.768076 0.609211 0.505999 O\n0.622227 0.691859 0.204929 O\n0.122227 0.308141 0.295071 O\n0.377773 0.308141 0.795071 O\n0.877773 0.691859 0.704929 O\n0.551586 0.342865 0.342646 O\n0.051586 0.657135 0.157354 O\n0.448414 0.657135 0.657354 O\n0.948414 0.342865 0.842646 O\n",
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"spacegroup": 14
},
{
"id": "mp-764383",
"created_at": "2022-09-04T14:45:41.260851Z",
"structure_string": "Mn4 Fe4 Co4 P12 O48\n1.0\n6.006562 0.000000 0.000000\n0.000000 9.855082 0.000000\n0.000000 0.076285 14.654236\nMn Fe Co P O\n4 4 4 12 48\ndirect\n0.000000 0.215905 0.812266 Mn\n0.000000 0.213288 0.480414 Mn\n0.500000 0.283033 0.646046 Mn\n0.500000 0.283552 0.313244 Mn\n0.000000 0.225495 0.153938 Fe\n0.500000 0.276915 0.985102 Fe\n0.000000 0.729117 0.344107 Fe\n0.000000 0.726849 0.008879 Fe\n0.000000 0.726444 0.677073 Co\n0.500000 0.771845 0.176520 Co\n0.500000 0.774120 0.514140 Co\n0.500000 0.772821 0.840625 Co\n0.500000 0.098477 0.472750 P\n0.500000 0.097383 0.805315 P\n0.500000 0.099239 0.140344 P\n0.000000 0.400303 0.970579 P\n0.000000 0.401111 0.307329 P\n0.000000 0.400688 0.639510 P\n0.500000 0.601684 0.027615 P\n0.500000 0.601529 0.362418 P\n0.500000 0.598098 0.696039 P\n0.000000 0.900430 0.529680 P\n0.000000 0.900861 0.860379 P\n0.000000 0.901285 0.194906 P\n0.000000 0.053293 0.882427 O\n0.000000 0.053007 0.553687 O\n0.000000 0.053351 0.216466 O\n0.500000 0.119946 0.244417 O\n0.500000 0.118691 0.576682 O\n0.500000 0.117692 0.908452 O\n0.299700 0.170987 0.424449 O\n0.700300 0.170987 0.424449 O\n0.298912 0.167953 0.756594 O\n0.701088 0.167953 0.756594 O\n0.300325 0.171686 0.091559 O\n0.699675 0.171686 0.091559 O\n0.801986 0.327313 0.257065 O\n0.198014 0.327313 0.257065 O\n0.795670 0.328446 0.925144 O\n0.204330 0.328446 0.925144 O\n0.799457 0.329856 0.591120 O\n0.200543 0.329856 0.591120 O\n0.000000 0.379094 0.074659 O\n0.000000 0.378910 0.410840 O\n0.000000 0.381035 0.743665 O\n0.500000 0.450174 0.048955 O\n0.500000 0.447887 0.383174 O\n0.500000 0.445179 0.717544 O\n0.000000 0.552853 0.949384 O\n0.000000 0.552204 0.286481 O\n0.000000 0.555312 0.620803 O\n0.500000 0.623567 0.257651 O\n0.500000 0.627105 0.923682 O\n0.500000 0.621145 0.591110 O\n0.297881 0.672728 0.409711 O\n0.702119 0.672728 0.409711 O\n0.298743 0.674670 0.075796 O\n0.701257 0.674670 0.075796 O\n0.298954 0.669834 0.743650 O\n0.701046 0.669834 0.743650 O\n0.798791 0.827668 0.578125 O\n0.201209 0.827668 0.578125 O\n0.799977 0.829688 0.909570 O\n0.200023 0.829688 0.909570 O\n0.800873 0.827966 0.244982 O\n0.199127 0.827966 0.244982 O\n0.000000 0.876776 0.756284 O\n0.000000 0.879972 0.091904 O\n0.000000 0.882192 0.426255 O\n0.500000 0.944532 0.452671 O\n0.500000 0.942883 0.784705 O\n0.500000 0.945125 0.122606 O\n",
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"formula_full": "Mn4 Fe4 Co4 P12 O48",
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"updated_at": "2021-11-28T01:37:13.415000Z",
"spacegroup": 6
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{
"id": "mp-1192373",
"created_at": "2022-09-04T14:41:19.828132Z",
"structure_string": "Ba12 Al4 P12\n1.0\n3.400342 -9.750720 0.000000\n3.400342 9.750720 0.000000\n0.000000 0.000000 13.080518\nBa Al P\n12 4 12\ndirect\n0.836400 0.836400 0.344969 Ba\n0.163600 0.163600 0.655031 Ba\n0.663600 0.663600 0.844969 Ba\n0.336400 0.336400 0.155031 Ba\n0.860307 0.508106 0.130143 Ba\n0.491894 0.139693 0.869857 Ba\n0.991894 0.639693 0.630143 Ba\n0.360307 0.008106 0.369857 Ba\n0.139693 0.491894 0.869857 Ba\n0.508106 0.860307 0.130143 Ba\n0.008106 0.360307 0.369857 Ba\n0.639693 0.991894 0.630143 Ba\n0.081931 0.918069 0.000000 Al\n0.581931 0.418069 0.500000 Al\n0.918069 0.081931 0.000000 Al\n0.418069 0.581931 0.500000 Al\n0.798700 0.798700 0.092402 P\n0.201300 0.201300 0.907598 P\n0.701300 0.701300 0.592402 P\n0.298700 0.298700 0.407598 P\n0.030821 0.341057 0.116811 P\n0.658943 0.969179 0.883189 P\n0.158943 0.469179 0.616811 P\n0.530821 0.841057 0.383189 P\n0.969179 0.658943 0.883189 P\n0.341057 0.030821 0.116811 P\n0.841057 0.530821 0.383189 P\n0.469179 0.158943 0.616811 P\n",
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"formula_full": "Ba12 Al4 P12",
"formula_reduced": "Ba3AlP3",
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{
"id": "mp-866660",
"created_at": "2022-09-04T14:48:10.004236Z",
"structure_string": "K6 P4 Au2 Se16\n1.0\n6.383536 3.614590 0.000000\n-6.383536 3.614590 0.000000\n0.000000 2.089792 18.794061\nK P Au Se\n6 4 2 16\ndirect\n0.499266 0.361262 0.105649 K\n0.361262 0.499266 0.605649 K\n0.893625 0.679907 0.754265 K\n0.679907 0.893625 0.254265 K\n0.580465 0.032763 0.898287 K\n0.032763 0.580465 0.398287 K\n0.305061 0.432387 0.876346 P\n0.432387 0.305061 0.376346 P\n0.215861 0.680058 0.124402 P\n0.680058 0.215861 0.624402 P\n0.047180 0.950879 0.999289 Au\n0.950879 0.047180 0.499289 Au\n0.492147 0.175151 0.723692 Se\n0.175151 0.492147 0.223692 Se\n0.077890 0.074059 0.873446 Se\n0.074059 0.077890 0.373446 Se\n0.345976 0.634548 0.780509 Se\n0.634548 0.345976 0.280509 Se\n0.601553 0.510404 0.920948 Se\n0.510404 0.601553 0.420948 Se\n0.102740 0.541809 0.939324 Se\n0.541809 0.102740 0.439324 Se\n0.049694 0.387401 0.058455 Se\n0.387401 0.049694 0.558455 Se\n0.544881 0.913501 0.083978 Se\n0.913501 0.544881 0.583978 Se\n0.003484 0.822832 0.125110 Se\n0.822832 0.003484 0.625110 Se\n",
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"formula_full": "K6 P4 Au2 Se16",
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{
"id": "mp-776967",
"created_at": "2022-09-04T14:40:40.332366Z",
"structure_string": "Li32 Ti13 Cr3 O48\n1.0\n-5.086363 0.000000 0.000000\n-0.018450 -8.820983 0.000000\n1.649125 2.847593 19.330614\nLi Ti Cr O\n32 13 3 48\ndirect\n0.991816 0.170008 0.249718 Li\n0.875088 0.374334 0.375032 Li\n0.750237 0.249905 0.999921 Li\n0.743258 0.918527 0.999471 Li\n0.992555 0.169334 0.749709 Li\n0.761029 0.580748 0.499936 Li\n0.874785 0.377037 0.874819 Li\n0.752554 0.251318 0.500019 Li\n0.740905 0.918226 0.500120 Li\n0.625117 0.124962 0.124972 Li\n0.759668 0.580669 0.999196 Li\n0.509921 0.330197 0.250630 Li\n0.623117 0.125419 0.625238 Li\n0.500879 0.000792 0.250342 Li\n0.491003 0.668778 0.250029 Li\n0.505056 0.329562 0.749724 Li\n0.374864 0.874530 0.375016 Li\n0.499890 0.000553 0.750033 Li\n0.244828 0.750993 0.999630 Li\n0.495908 0.670358 0.750606 Li\n0.241960 0.419885 0.000293 Li\n0.374462 0.874143 0.875122 Li\n0.256728 0.081601 0.499711 Li\n0.249360 0.750283 0.499970 Li\n0.124912 0.625013 0.124926 Li\n0.238517 0.417874 0.500076 Li\n0.008236 0.829385 0.249605 Li\n0.259406 0.079834 0.999962 Li\n0.124136 0.622957 0.624853 Li\n0.997846 0.500881 0.249660 Li\n0.007988 0.830069 0.750796 Li\n0.999039 0.500521 0.750380 Li\n0.873856 0.709733 0.374970 Ti\n0.875895 0.045858 0.375073 Ti\n0.878637 0.040176 0.875905 Ti\n0.626092 0.791185 0.124788 Ti\n0.623816 0.458803 0.124864 Ti\n0.631201 0.790993 0.624684 Ti\n0.620389 0.457695 0.623483 Ti\n0.376282 0.538799 0.375186 Ti\n0.376002 0.541555 0.874096 Ti\n0.374628 0.208544 0.874869 Ti\n0.123792 0.958690 0.124955 Ti\n0.126646 0.291178 0.124962 Ti\n0.130694 0.960747 0.627208 Ti\n0.871282 0.709535 0.875019 Cr\n0.373680 0.206857 0.374941 Cr\n0.120165 0.290289 0.625053 Cr\n0.962608 0.106269 0.068249 O\n0.928685 0.784358 0.068419 O\n0.927876 0.427532 0.067125 O\n0.963816 0.112235 0.569085 O\n0.821975 0.965736 0.181867 O\n0.822775 0.322483 0.182797 O\n0.927583 0.785995 0.568263 O\n0.924106 0.428706 0.567009 O\n0.787759 0.643501 0.181650 O\n0.714177 0.857207 0.318246 O\n0.821163 0.966027 0.681839 O\n0.831297 0.320953 0.682107 O\n0.678222 0.534457 0.318296 O\n0.680040 0.178059 0.317074 O\n0.784797 0.643159 0.681684 O\n0.713032 0.852366 0.818894 O\n0.462346 0.606418 0.068165 O\n0.571049 0.714487 0.431803 O\n0.567258 0.075778 0.432217 O\n0.676517 0.533946 0.818244 O\n0.677036 0.176204 0.817247 O\n0.427688 0.927312 0.067174 O\n0.428832 0.284371 0.068304 O\n0.536567 0.389784 0.430993 O\n0.463071 0.605823 0.567862 O\n0.579421 0.716703 0.930915 O\n0.572355 0.072217 0.932739 O\n0.322485 0.822533 0.182867 O\n0.321533 0.465549 0.181738 O\n0.427250 0.927835 0.567130 O\n0.423999 0.282921 0.569429 O\n0.535955 0.394649 0.931886 O\n0.287732 0.143543 0.181576 O\n0.213502 0.353121 0.319289 O\n0.321597 0.823312 0.683021 O\n0.319001 0.462591 0.680850 O\n0.177855 0.676252 0.317159 O\n0.184401 0.038119 0.319151 O\n0.290937 0.142327 0.681978 O\n0.213831 0.357012 0.818311 O\n0.072478 0.572687 0.432860 O\n0.068911 0.216163 0.431782 O\n0.173361 0.679503 0.818101 O\n0.178423 0.034037 0.818189 O\n0.035499 0.894623 0.431915 O\n0.069994 0.574108 0.931918 O\n0.071385 0.214444 0.931662 O\n0.039697 0.893255 0.931353 O\n",
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"formula_full": "Li32 Ti13 Cr3 O48",
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{
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{
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}