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{
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{
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{
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"structure_string": "Cd12 I24\n1.0\n2.167811 -3.754759 0.000000\n2.167811 3.754759 0.000000\n0.000000 0.000000 89.782584\nCd I\n12 24\ndirect\n0.000000 0.000000 0.270815 Cd\n0.666667 0.333333 0.020857 Cd\n0.666667 0.333333 0.187527 Cd\n0.000000 0.000000 0.854162 Cd\n0.000000 0.000000 0.104147 Cd\n0.666667 0.333333 0.354197 Cd\n0.000000 0.000000 0.520824 Cd\n0.000000 0.000000 0.770816 Cd\n0.666667 0.333333 0.937498 Cd\n0.666667 0.333333 0.687522 Cd\n0.000000 0.000000 0.437483 Cd\n0.666667 0.333333 0.604161 Cd\n0.000000 0.000000 0.168332 I\n0.666667 0.333333 0.834974 I\n0.333333 0.666667 0.790008 I\n0.666667 0.333333 0.084953 I\n0.333333 0.666667 0.456674 I\n0.333333 0.666667 0.206719 I\n0.333333 0.666667 0.956689 I\n0.000000 0.000000 0.668328 I\n0.666667 0.333333 0.501638 I\n0.666667 0.333333 0.751621 I\n0.000000 0.000000 0.918302 I\n0.000000 0.000000 0.584966 I\n0.333333 0.666667 0.540011 I\n0.333333 0.666667 0.123339 I\n0.333333 0.666667 0.040047 I\n0.000000 0.000000 0.001664 I\n0.333333 0.666667 0.290007 I\n0.333333 0.666667 0.373394 I\n0.000000 0.000000 0.335002 I\n0.333333 0.666667 0.623353 I\n0.666667 0.333333 0.418288 I\n0.333333 0.666667 0.706714 I\n0.666667 0.333333 0.251620 I\n0.333333 0.666667 0.873348 I\n",
"nsites": 36,
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"spacegroup": 156
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{
"id": "mp-1223605",
"created_at": "2022-09-04T14:44:27.034924Z",
"structure_string": "K2 Pr10 C4 Cl20\n1.0\n4.307877 -7.461462 0.000000\n4.307877 7.461462 0.000000\n0.000000 0.000000 15.211233\nK Pr C Cl\n2 10 4 20\ndirect\n0.000000 0.000000 0.049101 K\n0.000000 0.000000 0.549101 K\n0.666667 0.333333 0.449882 Pr\n0.333333 0.666667 0.949882 Pr\n0.333333 0.666667 0.549441 Pr\n0.666667 0.333333 0.049441 Pr\n0.382653 0.964944 0.748838 Pr\n0.035056 0.417709 0.748838 Pr\n0.582291 0.617347 0.748838 Pr\n0.617347 0.035056 0.248838 Pr\n0.964944 0.582291 0.248838 Pr\n0.417709 0.382653 0.248838 Pr\n0.333333 0.666667 0.702626 C\n0.666667 0.333333 0.202626 C\n0.666667 0.333333 0.297557 C\n0.333333 0.666667 0.797557 C\n0.005535 0.652901 0.063204 Cl\n0.347099 0.352634 0.063204 Cl\n0.647366 0.994465 0.063204 Cl\n0.994465 0.347099 0.563204 Cl\n0.652901 0.647366 0.563204 Cl\n0.352634 0.005535 0.563204 Cl\n0.984728 0.343345 0.933198 Cl\n0.656655 0.641382 0.933198 Cl\n0.358618 0.015272 0.933198 Cl\n0.015272 0.656655 0.433198 Cl\n0.343345 0.358618 0.433198 Cl\n0.641382 0.984728 0.433198 Cl\n0.991253 0.747924 0.749233 Cl\n0.252076 0.243328 0.749233 Cl\n0.756672 0.008747 0.749233 Cl\n0.008747 0.252076 0.249233 Cl\n0.747924 0.756672 0.249233 Cl\n0.243328 0.991253 0.249233 Cl\n0.666667 0.333333 0.705183 Cl\n0.333333 0.666667 0.205183 Cl\n",
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"elements": [
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"formula_full": "K2 Pr10 C4 Cl20",
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"spacegroup": 173
},
{
"id": "mp-1028337",
"created_at": "2022-09-04T14:44:27.337274Z",
"structure_string": "Hf1 Mg14 Ni1\n1.0\n6.277580 0.000000 0.000000\n-3.138790 5.436543 0.000000\n-0.000000 -0.000000 10.037451\nHf Mg Ni\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Hf\n0.162290 0.831145 0.125000 Mg\n0.176932 0.838465 0.625000 Mg\n0.668855 0.337710 0.125000 Mg\n0.661535 0.323068 0.625000 Mg\n0.668855 0.831145 0.125000 Mg\n0.661535 0.838465 0.625000 Mg\n0.324791 0.175209 0.363465 Mg\n0.324791 0.175209 0.886535 Mg\n0.324791 0.649583 0.363465 Mg\n0.324791 0.649583 0.886535 Mg\n0.850417 0.175209 0.363465 Mg\n0.850417 0.175209 0.886535 Mg\n0.833333 0.666667 0.382130 Mg\n0.833333 0.666667 0.867870 Mg\n0.166667 0.333333 0.125000 Ni\n",
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"volume": 342.56147628127616,
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"formula_full": "Hf1 Mg14 Ni1",
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},
{
"id": "mp-1221587",
"created_at": "2022-09-04T14:44:27.493517Z",
"structure_string": "Na9 Eu6 Ge6 S24\n1.0\n-0.008805 -0.014605 -6.885553\n0.011315 -13.689829 2.266408\n-11.842827 6.859458 2.294622\nNa Eu Ge S\n9 6 6 24\ndirect\n0.025643 0.535808 0.454546 Na\n0.574871 0.545936 0.078307 Na\n0.493724 0.915721 0.465544 Na\n0.528061 0.458853 0.531221 Na\n0.992772 0.466645 0.921590 Na\n0.073767 0.074891 0.544934 Na\n0.644621 0.232924 0.591059 Na\n0.088304 0.415602 0.651887 Na\n0.164071 0.594382 0.241997 Na\n0.380321 0.123542 0.276664 Eu\n0.104540 0.722757 0.846183 Eu\n0.258874 0.154312 0.871502 Eu\n0.881547 0.279740 0.123627 Eu\n0.757852 0.871513 0.156931 Eu\n0.602788 0.843120 0.714349 Eu\n0.936985 0.188470 0.371671 Ge\n0.565430 0.625100 0.817110 Ge\n0.746193 0.183541 0.810044 Ge\n0.439036 0.373564 0.191389 Ge\n0.246030 0.810642 0.182217 Ge\n0.061415 0.816694 0.624546 Ge\n0.247621 0.249377 0.492390 S\n0.762005 0.507808 0.754679 S\n0.995464 0.244783 0.750032 S\n0.750770 0.486305 0.244979 S\n0.496697 0.752549 0.242318 S\n0.260614 0.756120 0.511168 S\n0.719341 0.056897 0.381935 S\n0.338870 0.617785 0.674884 S\n0.667771 0.323579 0.948072 S\n0.220032 0.381384 0.056426 S\n0.168353 0.949329 0.323325 S\n0.846244 0.676853 0.624905 S\n0.779580 0.324420 0.416165 S\n0.363335 0.592599 0.912938 S\n0.454650 0.084761 0.675417 S\n0.268997 0.405705 0.320064 S\n0.954060 0.676432 0.084133 S\n0.869258 0.921022 0.600889 S\n0.948419 0.104077 0.191582 S\n0.756244 0.805787 0.912195 S\n0.848430 0.087648 0.893944 S\n0.450316 0.191837 0.105048 S\n0.347692 0.895574 0.086792 S\n0.260235 0.912511 0.806203 S\n",
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{
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"structure_string": "Tb4 Mg2 Pd4\n1.0\n7.668440 0.000000 0.000000\n0.000000 7.668440 0.000000\n0.000000 0.000000 3.858461\nTb Mg Pd\n4 2 4\ndirect\n0.331323 0.831323 0.500000 Tb\n0.831323 0.668677 0.500000 Tb\n0.168677 0.331323 0.500000 Tb\n0.668677 0.168677 0.500000 Tb\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.132424 0.632424 0.000000 Pd\n0.632424 0.867576 0.000000 Pd\n0.867576 0.367576 0.000000 Pd\n0.367576 0.132424 0.000000 Pd\n",
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{
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{
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"structure_string": "Li20 Sb4 S12 I8\n1.0\n7.615690 0.000000 0.000000\n0.000000 10.481058 0.000000\n0.000000 0.000000 13.580593\nLi Sb S I\n20 4 12 8\ndirect\n0.230700 0.061207 0.097774 Li\n0.269300 0.561207 0.402226 Li\n0.500000 0.313068 0.961538 Li\n0.730700 0.561207 0.402226 Li\n0.243227 0.304657 0.251656 Li\n0.769300 0.938793 0.902226 Li\n0.500000 0.686932 0.038462 Li\n0.756773 0.304657 0.251656 Li\n0.756773 0.695343 0.748344 Li\n0.269300 0.438793 0.597774 Li\n0.769300 0.061207 0.097774 Li\n0.256773 0.195343 0.751656 Li\n0.256773 0.804657 0.248344 Li\n0.243227 0.695343 0.748344 Li\n0.000000 0.186932 0.461538 Li\n0.230700 0.938793 0.902226 Li\n0.743227 0.804657 0.248344 Li\n0.743227 0.195343 0.751656 Li\n0.000000 0.813068 0.538462 Li\n0.730700 0.438793 0.597774 Li\n0.000000 0.300538 0.993463 Sb\n0.500000 0.800538 0.506537 Sb\n0.500000 0.199462 0.493463 Sb\n0.000000 0.699462 0.006537 Sb\n0.000000 0.798963 0.840358 S\n0.749183 0.671641 0.566952 S\n0.249183 0.171641 0.933048 S\n0.750817 0.171641 0.933048 S\n0.500000 0.701037 0.340358 S\n0.749183 0.328359 0.433048 S\n0.500000 0.298963 0.659642 S\n0.750817 0.828359 0.066952 S\n0.249183 0.828359 0.066952 S\n0.250817 0.671641 0.566952 S\n0.000000 0.201037 0.159642 S\n0.250817 0.328359 0.433048 S\n0.000000 0.429670 0.737505 I\n0.000000 0.941764 0.357766 I\n0.000000 0.058236 0.642234 I\n0.500000 0.070330 0.237505 I\n0.500000 0.929670 0.762495 I\n0.500000 0.558236 0.857766 I\n0.000000 0.570330 0.262495 I\n0.500000 0.441764 0.142234 I\n",
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{
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{
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"formula_full": "Gd3 Sn3 Pt3",
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{
"id": "mp-541310",
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"structure_string": "Ca4 Ga4 Ge4\n1.0\n2.122140 -3.675655 0.000000\n2.122140 3.675655 0.000000\n0.000000 0.000000 17.642586\nCa Ga Ge\n4 4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.333333 0.666667 0.152077 Ga\n0.666667 0.333333 0.652077 Ga\n0.666667 0.333333 0.847923 Ga\n0.333333 0.666667 0.347923 Ga\n0.333333 0.666667 0.609896 Ge\n0.666667 0.333333 0.109896 Ge\n0.666667 0.333333 0.390104 Ge\n0.333333 0.666667 0.890104 Ge\n",
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]
}