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{
"id": "mp-1201982",
"created_at": "2022-09-04T14:45:19.255975Z",
"structure_string": "K4 U2 H12 C8 Se2 O30\n1.0\n7.334825 0.000000 0.000000\n0.624000 9.009777 0.000000\n0.183143 1.140119 12.574125\nK U H C Se O\n4 2 12 8 2 30\ndirect\n0.178424 0.995041 0.757273 K\n0.821576 0.004959 0.242727 K\n0.207681 0.489969 0.659759 K\n0.792319 0.510031 0.340241 K\n0.300225 0.753727 0.275859 U\n0.699775 0.246273 0.724141 U\n0.183389 0.237714 0.461341 H\n0.816611 0.762286 0.538659 H\n0.311586 0.582790 0.904078 H\n0.688414 0.417210 0.095922 H\n0.422091 0.426531 0.897531 H\n0.577909 0.573469 0.102469 H\n0.180396 0.389007 0.975214 H\n0.819604 0.610993 0.024786 H\n0.109599 0.335564 0.104850 H\n0.890401 0.664436 0.895150 H\n0.154272 0.206643 0.010340 H\n0.845728 0.793357 0.989660 H\n0.251082 0.957293 0.046164 C\n0.748918 0.042707 0.953836 C\n0.320027 0.801514 0.012931 C\n0.679973 0.198486 0.987069 C\n0.283935 0.808517 0.527680 C\n0.716065 0.191483 0.472320 C\n0.239065 0.967030 0.471652 C\n0.760935 0.032970 0.528348 C\n0.277445 0.333383 0.295340 Se\n0.722555 0.666617 0.704660 Se\n0.054813 0.728257 0.271591 O\n0.945187 0.271743 0.728409 O\n0.543926 0.785114 0.279470 O\n0.456074 0.214886 0.720530 O\n0.231184 0.966602 0.145895 O\n0.768816 0.033398 0.854105 O\n0.360153 0.705974 0.092271 O\n0.639847 0.294026 0.907729 O\n0.217987 0.062000 0.974273 O\n0.782013 0.938000 0.025727 O\n0.329574 0.778235 0.916932 O\n0.670426 0.221765 0.083068 O\n0.233411 0.972442 0.369812 O\n0.766589 0.027558 0.630188 O\n0.302253 0.705884 0.462924 O\n0.697747 0.294116 0.537076 O\n0.297335 0.788009 0.626333 O\n0.702665 0.211991 0.373667 O\n0.211365 0.075499 0.526548 O\n0.788635 0.924501 0.473452 O\n0.169414 0.343346 0.423718 O\n0.830586 0.656654 0.576282 O\n0.090339 0.364377 0.217357 O\n0.909661 0.635623 0.782643 O\n0.372601 0.503349 0.288002 O\n0.627399 0.496651 0.711998 O\n0.297823 0.475937 0.893080 O\n0.702177 0.524063 0.106920 O\n0.106299 0.316521 0.024065 O\n0.893701 0.683479 0.975935 O\n",
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"formula_full": "K4 U2 H12 C8 Se2 O30",
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"updated_at": "2021-11-28T01:36:55.218000Z",
"spacegroup": 2
},
{
"id": "mp-571242",
"created_at": "2022-09-04T14:43:07.052487Z",
"structure_string": "Rb8 Co4 Cl16\n1.0\n7.387085 0.000000 0.000000\n0.000000 9.380570 0.000000\n0.000000 0.000000 12.932925\nRb Co Cl\n8 4 16\ndirect\n0.250549 0.488938 0.178394 Rb\n0.251587 0.630368 0.590936 Rb\n0.751587 0.869632 0.090936 Rb\n0.751587 0.369632 0.409064 Rb\n0.251587 0.130368 0.909064 Rb\n0.750549 0.011062 0.678394 Rb\n0.250549 0.988938 0.321606 Rb\n0.750549 0.511062 0.821606 Rb\n0.250979 0.723456 0.921682 Co\n0.750979 0.276544 0.078318 Co\n0.250979 0.223456 0.578318 Co\n0.750979 0.776544 0.421682 Co\n0.755296 0.177440 0.918424 Cl\n0.500998 0.187339 0.154386 Cl\n0.755296 0.677440 0.581576 Cl\n0.500998 0.687339 0.345614 Cl\n0.000998 0.312661 0.654386 Cl\n0.000998 0.812661 0.845614 Cl\n0.756391 0.516030 0.080697 Cl\n0.256391 0.983970 0.580697 Cl\n0.256391 0.483970 0.919303 Cl\n0.493200 0.807100 0.835247 Cl\n0.993200 0.192900 0.164753 Cl\n0.756391 0.016030 0.419303 Cl\n0.255296 0.822560 0.081576 Cl\n0.993200 0.692900 0.335247 Cl\n0.493200 0.307100 0.664753 Cl\n0.255296 0.322560 0.418424 Cl\n",
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"elements": [
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],
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"volume": 896.1879165178784,
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"formula_full": "Rb8 Co4 Cl16",
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"formula_anonymous": "AB2C4",
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},
{
"id": "mp-773725",
"created_at": "2022-09-04T14:47:27.958256Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.637303 0.000000 0.000000\n0.055670 8.642310 0.000000\n0.010902 0.319673 10.036434\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.749216 0.913671 0.123493 Na\n0.500263 0.248519 0.624017 Na\n0.763331 0.918349 0.627659 Li\n0.972119 0.733262 0.389130 Li\n0.528638 0.733776 0.390124 Li\n0.976280 0.731530 0.883389 Li\n0.522964 0.733637 0.882614 Li\n0.472432 0.268401 0.114700 Li\n0.029351 0.269737 0.113774 Li\n0.020836 0.266934 0.614447 Li\n0.243226 0.083807 0.370356 Li\n0.237338 0.086598 0.872635 Li\n0.248920 0.647786 0.113281 Mn\n0.250338 0.646193 0.610944 Mn\n0.755274 0.351257 0.383301 Mn\n0.751845 0.354311 0.888670 Mn\n0.749096 0.584747 0.144227 P\n0.754903 0.594538 0.643551 P\n0.250918 0.408044 0.351583 P\n0.245809 0.411700 0.854542 P\n0.249502 0.962163 0.135795 C\n0.240758 0.957111 0.638940 C\n0.750834 0.038449 0.371365 C\n0.752721 0.047098 0.860756 C\n0.749114 0.889834 0.353863 O\n0.750800 0.897445 0.845874 O\n0.247044 0.920012 0.012879 O\n0.248176 0.920205 0.515022 O\n0.248552 0.857904 0.232629 O\n0.254551 0.849935 0.733545 O\n0.933523 0.675254 0.088037 O\n0.563868 0.676573 0.088825 O\n0.933697 0.697554 0.594712 O\n0.565792 0.682869 0.590145 O\n0.750653 0.584670 0.300258 O\n0.246352 0.577825 0.400244 O\n0.750690 0.585308 0.799884 O\n0.249837 0.581083 0.902522 O\n0.747750 0.412499 0.103118 O\n0.244487 0.417204 0.195401 O\n0.769461 0.426811 0.593813 O\n0.230868 0.420171 0.699362 O\n0.440082 0.315681 0.397361 O\n0.071478 0.309358 0.405607 O\n0.434579 0.315697 0.899306 O\n0.067259 0.315832 0.913298 O\n0.755672 0.134013 0.268902 O\n0.758333 0.138672 0.755606 O\n0.748485 0.091273 0.490905 O\n0.749490 0.106918 0.976992 O\n0.252627 0.107721 0.165369 O\n0.219869 0.100061 0.673224 O\n",
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"elements": [
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"density": 2.7547366953867116,
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"volume": 575.7062145299965,
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"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
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"energy": -380.19521608,
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"updated_at": "2021-11-28T01:38:13.848000Z",
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{
"id": "mp-1197843",
"created_at": "2022-09-04T14:47:03.420090Z",
"structure_string": "Ca10 Si4 O20\n1.0\n0.000000 5.114624 0.000000\n0.007030 0.000000 9.018779\n10.884124 0.000000 -3.803507\nCa Si O\n10 4 20\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.499215 0.188375 0.831098 Ca\n0.999215 0.811625 0.668902 Ca\n0.500785 0.811625 0.168902 Ca\n0.000785 0.188375 0.331098 Ca\n0.498279 0.418756 0.619097 Ca\n0.998279 0.581244 0.880903 Ca\n0.501721 0.581244 0.380903 Ca\n0.001721 0.418756 0.119097 Ca\n0.068285 0.200459 0.646967 Si\n0.568285 0.799541 0.853033 Si\n0.931715 0.799541 0.353033 Si\n0.431715 0.200459 0.146967 Si\n0.201765 0.206141 0.516770 O\n0.701765 0.793859 0.983230 O\n0.798235 0.793859 0.483230 O\n0.298235 0.206141 0.016770 O\n0.200868 0.044066 0.669534 O\n0.700868 0.955934 0.830466 O\n0.799132 0.955934 0.330466 O\n0.299132 0.044066 0.169534 O\n0.195851 0.354197 0.755379 O\n0.695851 0.645803 0.744621 O\n0.804149 0.645803 0.244621 O\n0.304149 0.354197 0.255379 O\n0.748864 0.200663 0.646545 O\n0.248864 0.799337 0.853455 O\n0.251136 0.799337 0.353455 O\n0.751136 0.200663 0.146545 O\n0.770676 0.392817 0.938856 O\n0.270676 0.607183 0.561144 O\n0.229324 0.607183 0.061144 O\n0.729324 0.392817 0.438856 O\n",
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"formula_full": "Ca10 Si4 O20",
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{
"id": "mp-1204863",
"created_at": "2022-09-04T14:40:31.052553Z",
"structure_string": "La4 B20 Br4 O44\n1.0\n14.942410 0.000000 0.000000\n0.000000 6.605503 0.000000\n0.000000 6.429198 10.965211\nLa B Br O\n4 20 4 44\ndirect\n0.309399 0.992297 0.179110 La\n0.190601 0.992297 0.679110 La\n0.690601 0.007703 0.820890 La\n0.809399 0.007703 0.320890 La\n0.213455 0.508083 0.368156 B\n0.286545 0.508083 0.868156 B\n0.786545 0.491917 0.631844 B\n0.713455 0.491917 0.131844 B\n0.253737 0.408244 0.215072 B\n0.246263 0.408244 0.715072 B\n0.746263 0.591756 0.784928 B\n0.753737 0.591756 0.284928 B\n0.323636 0.677085 0.001984 B\n0.176364 0.677085 0.501984 B\n0.676364 0.322915 0.998016 B\n0.823636 0.322915 0.498016 B\n0.540606 0.109224 0.093254 B\n0.959394 0.109224 0.593254 B\n0.459394 0.890776 0.906746 B\n0.040606 0.890776 0.406746 B\n0.325183 0.104133 0.905997 B\n0.174817 0.104133 0.405997 B\n0.674817 0.895867 0.094003 B\n0.825182 0.895867 0.594003 B\n0.070580 0.171288 0.045286 Br\n0.429420 0.171288 0.545286 Br\n0.929420 0.828712 0.954714 Br\n0.570580 0.828712 0.454714 Br\n0.294818 0.882458 0.009303 O\n0.205182 0.882458 0.509303 O\n0.705182 0.117542 0.990697 O\n0.794818 0.117542 0.490697 O\n0.295943 0.453174 0.111179 O\n0.204057 0.453174 0.611179 O\n0.704057 0.546826 0.888821 O\n0.795943 0.546826 0.388821 O\n0.455917 0.103299 0.140005 O\n0.044083 0.103299 0.640005 O\n0.544083 0.896701 0.859995 O\n0.955917 0.896701 0.359995 O\n0.223669 0.682668 0.393668 O\n0.276331 0.682668 0.893668 O\n0.776331 0.317332 0.606332 O\n0.723669 0.317332 0.106332 O\n0.418705 0.678503 0.979801 O\n0.081295 0.678503 0.479801 O\n0.581295 0.321497 0.020199 O\n0.918705 0.321497 0.520199 O\n0.231941 0.177539 0.293436 O\n0.268059 0.177539 0.793436 O\n0.768059 0.822461 0.706564 O\n0.731941 0.822461 0.206564 O\n0.582277 0.899330 0.125215 O\n0.917723 0.899330 0.625215 O\n0.417723 0.100670 0.874785 O\n0.082277 0.100670 0.374785 O\n0.236940 0.578330 0.246612 O\n0.263060 0.578330 0.746612 O\n0.763060 0.421670 0.753388 O\n0.736940 0.421670 0.253388 O\n0.424894 0.730898 0.293757 O\n0.075106 0.730898 0.793757 O\n0.575106 0.269102 0.706243 O\n0.924894 0.269102 0.206243 O\n0.309364 0.280069 0.946681 O\n0.190636 0.280069 0.446681 O\n0.690636 0.719931 0.053319 O\n0.809364 0.719931 0.553319 O\n0.468913 0.925603 0.375732 O\n0.031087 0.925603 0.875732 O\n0.531087 0.074397 0.624268 O\n0.968913 0.074397 0.124268 O\n",
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{
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"structure_string": "Li4 Zn4 P4 H8 O20\n1.0\n5.066226 0.000000 0.000000\n0.000000 8.164708 0.000000\n0.000000 0.000000 10.803875\nLi Zn P H O\n4 4 4 8 20\ndirect\n0.797655 0.186926 0.315997 Li\n0.297655 0.813074 0.684003 Li\n0.797655 0.313074 0.815997 Li\n0.297655 0.686926 0.184003 Li\n0.299336 0.379864 0.372516 Zn\n0.799336 0.620136 0.627484 Zn\n0.299336 0.120136 0.872516 Zn\n0.799336 0.879864 0.127484 Zn\n0.301478 0.089992 0.166423 P\n0.801478 0.910008 0.833577 P\n0.301478 0.410008 0.666423 P\n0.801478 0.589992 0.333577 P\n0.830003 0.323313 0.046227 H\n0.330003 0.676687 0.953773 H\n0.830003 0.176687 0.546227 H\n0.330003 0.823313 0.453773 H\n0.666096 0.473222 0.000672 H\n0.166096 0.526778 0.999328 H\n0.666096 0.026778 0.500672 H\n0.166096 0.973222 0.499328 H\n0.923016 0.688679 0.224783 O\n0.423016 0.311321 0.775217 O\n0.923016 0.811321 0.724783 O\n0.423016 0.188679 0.275217 O\n0.421987 0.913552 0.166796 O\n0.921987 0.086448 0.833204 O\n0.421987 0.586448 0.666796 O\n0.921987 0.413552 0.333204 O\n0.997098 0.074907 0.186712 O\n0.497098 0.925093 0.813288 O\n0.997098 0.425093 0.686712 O\n0.497098 0.574907 0.313288 O\n0.364971 0.321740 0.543943 O\n0.864971 0.678260 0.456057 O\n0.364971 0.178260 0.043943 O\n0.864971 0.821740 0.956057 O\n0.332760 0.912454 0.514137 O\n0.832760 0.087546 0.485863 O\n0.332760 0.587546 0.014137 O\n0.832760 0.412454 0.985863 O\n",
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"formula_full": "Li4 Zn4 P4 H8 O20",
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},
{
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