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{
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"structure_string": "Li8 Co4 Ni12 O32\n1.0\n8.077961 -0.009624 0.049648\n-0.010422 8.145578 -0.021715\n0.049888 -0.020578 8.037375\nLi Co Ni O\n8 4 12 32\ndirect\n0.997540 0.003784 0.997615 Li\n0.252979 0.245070 0.253538 Li\n0.246679 0.744920 0.746776 Li\n0.494886 0.003877 0.494338 Li\n0.503038 0.502069 0.001337 Li\n0.752305 0.247419 0.756560 Li\n0.750070 0.747023 0.247723 Li\n0.002690 0.506489 0.500760 Li\n0.121660 0.874712 0.371435 Co\n0.373575 0.123737 0.873240 Co\n0.625646 0.625875 0.624774 Co\n0.880362 0.373999 0.131075 Co\n0.123978 0.125775 0.626106 Ni\n0.129180 0.374674 0.878141 Ni\n0.126637 0.623484 0.124138 Ni\n0.379275 0.373880 0.628870 Ni\n0.375543 0.624955 0.372890 Ni\n0.369868 0.874345 0.118747 Ni\n0.630155 0.374341 0.380139 Ni\n0.623951 0.124782 0.125479 Ni\n0.619077 0.875701 0.870283 Ni\n0.875503 0.126753 0.378150 Ni\n0.869543 0.877312 0.621524 Ni\n0.876034 0.624669 0.876145 Ni\n0.107502 0.111092 0.392487 O\n0.100761 0.877955 0.609435 O\n0.122756 0.603716 0.892874 O\n0.138215 0.142829 0.859518 O\n0.118219 0.389981 0.113400 O\n0.147225 0.374917 0.644287 O\n0.131453 0.643780 0.355593 O\n0.136417 0.857021 0.131381 O\n0.366222 0.144940 0.636861 O\n0.364164 0.359156 0.863132 O\n0.358742 0.642625 0.129980 O\n0.394613 0.605524 0.618006 O\n0.355997 0.873163 0.351354 O\n0.398160 0.376035 0.395545 O\n0.376608 0.102919 0.108680 O\n0.385930 0.888222 0.882566 O\n0.614483 0.388491 0.616606 O\n0.621721 0.603803 0.393679 O\n0.602560 0.876499 0.103215 O\n0.646357 0.372603 0.147678 O\n0.608377 0.106678 0.887720 O\n0.642684 0.142850 0.363702 O\n0.633672 0.862474 0.634427 O\n0.627205 0.645597 0.853915 O\n0.863565 0.358784 0.370460 O\n0.871745 0.143093 0.146034 O\n0.851589 0.873179 0.854521 O\n0.883537 0.894457 0.387257 O\n0.854283 0.647645 0.625321 O\n0.880537 0.107850 0.611942 O\n0.897624 0.376671 0.894515 O\n0.896903 0.605952 0.124265 O\n",
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"spacegroup": 1
},
{
"id": "mp-1189352",
"created_at": "2022-09-04T14:39:31.784643Z",
"structure_string": "Zn1 Cu3 H6 Cl2 O6\n1.0\n3.491710 2.015940 4.654183\n-3.491710 2.015940 4.654183\n0.000000 -4.031879 4.654183\nZn Cu H Cl O\n1 3 6 2 6\ndirect\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.177611 0.777633 0.777633 H\n0.777633 0.777633 0.177611 H\n0.777633 0.177611 0.777633 H\n0.822389 0.222367 0.222367 H\n0.222367 0.222367 0.822389 H\n0.222367 0.822389 0.222367 H\n0.819613 0.819613 0.819613 Cl\n0.180387 0.180387 0.180387 Cl\n0.356905 0.732623 0.732623 O\n0.732623 0.732623 0.356905 O\n0.732623 0.356905 0.732623 O\n0.643095 0.267377 0.267377 O\n0.267377 0.267377 0.643095 O\n0.267377 0.643095 0.267377 O\n",
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"formula_full": "Zn1 Cu3 H6 Cl2 O6",
"formula_reduced": "ZnCu3H6(ClO3)2",
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},
{
"id": "mp-568904",
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"structure_string": "K4 Th4 Sb8 Se24\n1.0\n15.316532 0.000000 0.000000\n0.000000 4.300291 0.000000\n0.000000 0.783864 17.276213\nK Th Sb Se\n4 4 8 24\ndirect\n0.286730 0.735478 0.672867 K\n0.213270 0.735478 0.172867 K\n0.713270 0.264522 0.327133 K\n0.786730 0.264522 0.827133 K\n0.870950 0.299823 0.091046 Th\n0.129050 0.700177 0.908954 Th\n0.629050 0.299823 0.591046 Th\n0.370950 0.700177 0.408954 Th\n0.873669 0.730702 0.525773 Sb\n0.626331 0.730702 0.025773 Sb\n0.373669 0.269298 0.974227 Sb\n0.974264 0.753592 0.296543 Sb\n0.474264 0.246408 0.203457 Sb\n0.025736 0.246408 0.703457 Sb\n0.126331 0.269298 0.474227 Sb\n0.525736 0.753592 0.796543 Sb\n0.529420 0.663860 0.302574 Se\n0.029420 0.336140 0.197426 Se\n0.970580 0.663860 0.802574 Se\n0.170756 0.730755 0.373343 Se\n0.829244 0.269245 0.626657 Se\n0.918715 0.319944 0.408315 Se\n0.081285 0.680056 0.591685 Se\n0.794570 0.790800 0.984897 Se\n0.329244 0.730755 0.873343 Se\n0.705430 0.790800 0.484897 Se\n0.670756 0.269245 0.126657 Se\n0.418715 0.680056 0.091685 Se\n0.013343 0.819651 0.058960 Se\n0.172510 0.211608 0.789467 Se\n0.470580 0.336140 0.697426 Se\n0.327490 0.211608 0.289467 Se\n0.581285 0.319944 0.908315 Se\n0.827490 0.788392 0.210533 Se\n0.672510 0.788392 0.710533 Se\n0.205430 0.209200 0.015103 Se\n0.986657 0.180349 0.941040 Se\n0.486657 0.819651 0.558960 Se\n0.513343 0.180349 0.441040 Se\n0.294570 0.209200 0.515103 Se\n",
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"volume": 1137.9071797850115,
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"formula_full": "K4 Th4 Sb8 Se24",
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{
"id": "mp-560243",
"created_at": "2022-09-04T14:39:31.605843Z",
"structure_string": "Np8 H48 S4 O56\n1.0\n19.198452 0.000000 0.000000\n0.000000 7.981659 0.000000\n0.000000 0.897975 8.191449\nNp H S O\n8 48 4 56\ndirect\n0.643524 0.660711 0.803141 Np\n0.361105 0.240233 0.698595 Np\n0.856476 0.660711 0.303141 Np\n0.638895 0.759767 0.301405 Np\n0.861105 0.759767 0.801405 Np\n0.138895 0.240233 0.198595 Np\n0.143524 0.339289 0.696859 Np\n0.356476 0.339289 0.196859 Np\n0.713040 0.099054 0.323145 H\n0.094920 0.975232 0.627378 H\n0.500939 0.458411 0.710071 H\n0.905080 0.024768 0.372622 H\n0.286960 0.900946 0.676855 H\n0.764976 0.061549 0.645853 H\n0.235024 0.938451 0.354147 H\n0.434945 0.924721 0.621603 H\n0.411607 0.750064 0.001865 H\n0.114493 0.963440 0.812941 H\n0.786960 0.099054 0.823145 H\n0.885507 0.036560 0.187059 H\n0.155850 0.591876 0.372492 H\n0.548039 0.062572 0.191406 H\n0.700920 0.329183 0.993828 H\n0.344150 0.591876 0.872492 H\n0.451961 0.937428 0.808594 H\n0.385507 0.963440 0.312941 H\n0.011125 0.787001 0.552392 H\n0.799080 0.329183 0.493828 H\n0.511125 0.212999 0.947608 H\n0.048039 0.937428 0.308594 H\n0.065055 0.924721 0.121603 H\n0.980795 0.301365 0.113606 H\n0.480795 0.698635 0.386394 H\n0.951961 0.062572 0.691406 H\n0.655850 0.408124 0.127508 H\n0.565055 0.075279 0.378397 H\n0.213040 0.900946 0.176855 H\n0.614493 0.036560 0.687059 H\n0.519205 0.301365 0.613606 H\n0.999061 0.458411 0.210071 H\n0.019205 0.698635 0.886394 H\n0.088393 0.750064 0.501865 H\n0.299080 0.670817 0.006172 H\n0.588393 0.249936 0.998135 H\n0.844150 0.408124 0.627508 H\n0.405080 0.975232 0.127378 H\n0.594920 0.024768 0.872622 H\n0.200920 0.670817 0.506172 H\n0.499061 0.541589 0.289929 H\n0.988875 0.212999 0.447608 H\n0.264976 0.938451 0.854147 H\n0.488875 0.787001 0.052392 H\n0.000939 0.541589 0.789929 H\n0.934945 0.075279 0.878397 H\n0.911607 0.249936 0.498135 H\n0.735024 0.061549 0.145853 H\n0.657290 0.327828 0.500310 S\n0.342710 0.672172 0.499690 S\n0.842710 0.327828 0.000310 S\n0.157290 0.672172 0.999690 S\n0.798850 0.030422 0.733111 O\n0.052994 0.841723 0.504465 O\n0.981644 0.646858 0.826518 O\n0.369513 0.262418 0.922603 O\n0.759992 0.694891 0.312897 O\n0.018356 0.353142 0.173482 O\n0.123094 0.031039 0.707489 O\n0.447006 0.841723 0.004465 O\n0.450365 0.383826 0.205816 O\n0.904117 0.213089 0.024012 O\n0.552994 0.158277 0.995535 O\n0.446153 0.005850 0.700376 O\n0.130487 0.262418 0.422603 O\n0.553847 0.994150 0.299624 O\n0.404117 0.786911 0.475988 O\n0.623094 0.968961 0.792511 O\n0.343883 0.611108 0.989142 O\n0.876906 0.968961 0.292511 O\n0.646894 0.447990 0.348796 O\n0.221256 0.775858 0.021605 O\n0.946153 0.994150 0.799624 O\n0.853106 0.447990 0.848796 O\n0.643963 0.783174 0.524760 O\n0.332990 0.578839 0.356024 O\n0.869513 0.737582 0.577397 O\n0.950365 0.616174 0.294184 O\n0.856037 0.783174 0.024760 O\n0.740008 0.694891 0.812897 O\n0.947006 0.158277 0.495535 O\n0.832990 0.421161 0.143976 O\n0.656117 0.388892 0.010858 O\n0.701150 0.030422 0.233111 O\n0.481644 0.353142 0.673482 O\n0.146894 0.552010 0.151204 O\n0.298850 0.969578 0.766889 O\n0.356037 0.216826 0.475240 O\n0.278744 0.775858 0.521605 O\n0.259992 0.305109 0.187103 O\n0.053847 0.005850 0.200376 O\n0.049635 0.383826 0.705816 O\n0.201150 0.969578 0.266889 O\n0.167010 0.578839 0.856024 O\n0.156117 0.611108 0.489142 O\n0.518356 0.646858 0.326518 O\n0.376906 0.031039 0.207489 O\n0.143963 0.216826 0.975240 O\n0.095883 0.786911 0.975988 O\n0.240008 0.305109 0.687103 O\n0.721256 0.224142 0.478395 O\n0.353106 0.552010 0.651204 O\n0.630487 0.737582 0.077397 O\n0.843883 0.388892 0.510858 O\n0.778744 0.224142 0.978395 O\n0.667010 0.421161 0.643976 O\n0.595883 0.213089 0.524012 O\n0.549635 0.616174 0.794184 O\n",
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{
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{
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{
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