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{
"id": "mp-571555",
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{
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{
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},
{
"id": "mp-976713",
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"structure_string": "Ho2 H4 Cl2 O4\n1.0\n3.618670 0.000000 0.000000\n0.000000 6.182997 0.000000\n0.000000 1.933165 6.350363\nHo H Cl O\n2 4 2 4\ndirect\n0.750000 0.712786 0.114547 Ho\n0.250000 0.287214 0.885453 Ho\n0.750000 0.126059 0.230392 H\n0.250000 0.344503 0.305428 H\n0.750000 0.655497 0.694572 H\n0.250000 0.873941 0.769608 H\n0.250000 0.767594 0.429841 Cl\n0.750000 0.232406 0.570159 Cl\n0.750000 0.104448 0.090293 O\n0.250000 0.447363 0.162057 O\n0.750000 0.552637 0.837943 O\n0.250000 0.895552 0.909707 O\n",
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],
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"formula_full": "Ho2 H4 Cl2 O4",
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"energy": -75.37424951,
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{
"id": "mp-1773",
"created_at": "2022-09-04T14:41:17.069966Z",
"structure_string": "Re2 B4\n1.0\n1.458485 -2.526170 0.000000\n1.458485 2.526170 0.000000\n0.000000 0.000000 7.503477\nRe B\n2 4\ndirect\n0.666667 0.333333 0.750000 Re\n0.333333 0.666667 0.250000 Re\n0.666667 0.333333 0.452330 B\n0.333333 0.666667 0.952330 B\n0.666667 0.333333 0.047670 B\n0.333333 0.666667 0.547670 B\n",
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],
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"formula_full": "Re2 B4",
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"updated_at": "2021-11-28T01:35:15.221000Z",
"spacegroup": 194
},
{
"id": "mp-1199449",
"created_at": "2022-09-04T14:41:17.093062Z",
"structure_string": "Mn36 Pb16 O80\n1.0\n0.000000 -0.000000 -10.185363\n0.000000 -11.558266 0.000000\n-14.238127 0.000000 0.000000\nMn Pb O\n36 16 80\ndirect\n0.665959 0.250000 0.172060 Mn\n0.834041 0.250000 0.672060 Mn\n0.334041 0.750000 0.827940 Mn\n0.165959 0.750000 0.327940 Mn\n0.584109 0.380238 0.674998 Mn\n0.915891 0.119762 0.174998 Mn\n0.415891 0.880238 0.325002 Mn\n0.084109 0.619762 0.825002 Mn\n0.415891 0.619762 0.325002 Mn\n0.084109 0.880238 0.825002 Mn\n0.584109 0.119762 0.674998 Mn\n0.915891 0.380238 0.174998 Mn\n0.579957 0.616655 0.834160 Mn\n0.920043 0.883345 0.334160 Mn\n0.420043 0.116655 0.165840 Mn\n0.079957 0.383345 0.665840 Mn\n0.420043 0.383345 0.165840 Mn\n0.079957 0.116655 0.665840 Mn\n0.579957 0.883345 0.834160 Mn\n0.920043 0.616655 0.334160 Mn\n0.833625 0.750000 0.833455 Mn\n0.666375 0.750000 0.333455 Mn\n0.166375 0.250000 0.166545 Mn\n0.333625 0.250000 0.666545 Mn\n0.673832 0.488954 0.328611 Mn\n0.826168 0.011046 0.828611 Mn\n0.326168 0.988954 0.671389 Mn\n0.173832 0.511046 0.171389 Mn\n0.326168 0.511046 0.671389 Mn\n0.173832 0.988954 0.171389 Mn\n0.673832 0.011046 0.328611 Mn\n0.826168 0.488954 0.828611 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 -0.000000 0.000000 Mn\n0.214715 0.750000 0.559206 Pb\n0.285285 0.750000 0.059206 Pb\n0.785285 0.250000 0.440794 Pb\n0.714715 0.250000 0.940794 Pb\n0.425011 0.250000 0.392897 Pb\n0.074989 0.250000 0.892897 Pb\n0.574989 0.750000 0.607103 Pb\n0.925011 0.750000 0.107103 Pb\n0.143782 0.059895 0.426378 Pb\n0.356218 0.440105 0.926378 Pb\n0.856218 0.559895 0.573622 Pb\n0.643782 0.940105 0.073622 Pb\n0.856218 0.940105 0.573622 Pb\n0.643782 0.559895 0.073622 Pb\n0.143782 0.440105 0.426378 Pb\n0.356218 0.059895 0.926378 Pb\n0.576707 0.626790 0.403444 O\n0.923293 0.873210 0.903444 O\n0.423293 0.126790 0.596556 O\n0.076707 0.373210 0.096556 O\n0.423293 0.373210 0.596556 O\n0.076707 0.126790 0.096556 O\n0.576707 0.873210 0.403444 O\n0.923293 0.626790 0.903444 O\n0.596232 0.381810 0.418586 O\n0.903768 0.118190 0.918586 O\n0.403768 0.881810 0.581414 O\n0.096232 0.618190 0.081414 O\n0.403768 0.618190 0.581414 O\n0.096232 0.881810 0.081414 O\n0.596232 0.118190 0.418586 O\n0.903768 0.381810 0.918586 O\n0.642439 0.498775 0.588991 O\n0.857561 0.001225 0.088991 O\n0.357561 0.998775 0.411009 O\n0.142439 0.501225 0.911009 O\n0.357561 0.501225 0.411009 O\n0.142439 0.998775 0.911009 O\n0.642439 0.001225 0.588991 O\n0.857561 0.498775 0.088991 O\n0.672197 0.750000 0.904148 O\n0.827803 0.750000 0.404148 O\n0.327803 0.250000 0.095852 O\n0.172197 0.250000 0.595852 O\n0.660260 0.499761 0.908799 O\n0.839740 0.000239 0.408799 O\n0.339740 -0.000239 0.091201 O\n0.160260 0.500239 0.591201 O\n0.339740 0.500239 0.091201 O\n0.160260 -0.000239 0.591201 O\n0.660260 0.000239 0.908799 O\n0.839740 0.499761 0.408799 O\n0.826930 0.250000 0.101503 O\n0.673070 0.250000 0.601503 O\n0.173070 0.750000 0.898497 O\n0.326930 0.750000 0.398497 O\n0.919906 0.369842 0.592766 O\n0.580094 0.130158 0.092766 O\n0.080094 0.869842 0.407234 O\n0.419906 0.630158 0.907234 O\n0.080094 0.630158 0.407234 O\n0.419906 0.869842 0.907234 O\n0.919906 0.130158 0.592766 O\n0.580094 0.369842 0.092766 O\n0.496898 0.250000 0.237915 O\n0.003102 0.250000 0.737915 O\n0.503102 0.750000 0.762085 O\n0.996898 0.750000 0.262085 O\n0.501032 0.750000 0.259623 O\n0.998968 0.750000 0.759623 O\n0.498968 0.250000 0.740377 O\n0.001032 0.250000 0.240377 O\n0.745642 0.132045 0.745716 O\n0.754358 0.367955 0.245716 O\n0.254358 0.632045 0.254284 O\n0.245642 0.867955 0.754284 O\n0.254358 0.867955 0.254284 O\n0.245642 0.632045 0.754284 O\n0.745642 0.367955 0.745716 O\n0.754358 0.132045 0.245716 O\n0.507943 0.502767 0.250592 O\n0.992057 0.997233 0.750592 O\n0.492057 0.002767 0.749408 O\n0.007943 0.497233 0.249408 O\n0.492057 0.497233 0.749408 O\n0.007943 0.002767 0.249408 O\n0.507943 0.997233 0.250592 O\n0.992057 0.502767 0.750592 O\n0.753042 0.623552 0.263421 O\n0.746958 0.876448 0.763421 O\n0.246958 0.123552 0.736579 O\n0.253042 0.376448 0.236579 O\n0.246958 0.376448 0.736579 O\n0.253042 0.123552 0.236579 O\n0.753042 0.876448 0.263421 O\n0.746958 0.623552 0.763421 O\n",
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"formula_full": "Mn36 Pb16 O80",
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{
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"structure_string": "Be4 B24 H64\n1.0\n11.320723 0.000000 0.000000\n0.000000 8.055375 0.000000\n-5.187652 0.000000 10.988392\nBe B H\n4 24 64\ndirect\n0.286917 0.463173 0.774138 Be\n0.286917 0.036827 0.274138 Be\n0.713083 0.536827 0.225862 Be\n0.713083 0.963173 0.725862 Be\n0.168538 0.270949 0.731396 B\n0.168538 0.229051 0.231396 B\n0.831462 0.729051 0.268604 B\n0.831462 0.770949 0.768604 B\n0.119046 0.284401 0.855519 B\n0.119046 0.215599 0.355519 B\n0.880954 0.715599 0.144481 B\n0.880954 0.784401 0.644481 B\n0.289817 0.278464 0.881990 B\n0.289817 0.221536 0.381990 B\n0.710183 0.721536 0.118010 B\n0.710183 0.778464 0.618010 B\n0.300182 0.705566 0.768096 B\n0.300182 0.794434 0.268096 B\n0.699818 0.294434 0.231904 B\n0.699818 0.205566 0.731904 B\n0.275132 0.721492 0.610211 B\n0.275132 0.778508 0.110211 B\n0.724868 0.278508 0.389789 B\n0.724868 0.221492 0.889789 B\n0.400992 0.590494 0.719712 B\n0.400992 0.909506 0.219712 B\n0.599008 0.409506 0.280288 B\n0.599008 0.090494 0.780288 B\n0.172093 0.149495 0.676559 H\n0.172093 0.350505 0.176559 H\n0.827907 0.850505 0.323441 H\n0.827907 0.649495 0.823441 H\n0.078390 0.158030 0.879364 H\n0.078390 0.341970 0.379364 H\n0.921610 0.841970 0.120636 H\n0.921610 0.658030 0.620636 H\n0.360593 0.160899 0.912113 H\n0.360593 0.339101 0.412113 H\n0.639407 0.839101 0.087887 H\n0.639407 0.660899 0.587887 H\n0.074771 0.413586 0.869728 H\n0.074771 0.086414 0.369728 H\n0.925229 0.586414 0.130272 H\n0.925229 0.913586 0.630272 H\n0.054165 0.278465 0.725336 H\n0.054165 0.221535 0.225336 H\n0.945835 0.721535 0.274664 H\n0.945835 0.778465 0.774664 H\n0.242861 0.294613 0.959046 H\n0.242861 0.205387 0.459046 H\n0.757139 0.705387 0.040954 H\n0.757139 0.794613 0.540954 H\n0.355508 0.410229 0.909794 H\n0.355508 0.089771 0.409794 H\n0.644492 0.589771 0.090206 H\n0.644492 0.910229 0.590206 H\n0.158309 0.399832 0.669815 H\n0.158309 0.100168 0.169815 H\n0.841691 0.600168 0.330185 H\n0.841691 0.899832 0.830185 H\n0.360049 0.797951 0.850164 H\n0.360049 0.702049 0.350164 H\n0.639951 0.202049 0.149836 H\n0.639951 0.297951 0.649836 H\n0.312470 0.846731 0.581682 H\n0.312470 0.653269 0.081682 H\n0.687530 0.153269 0.418318 H\n0.687530 0.346731 0.918318 H\n0.514652 0.622045 0.774103 H\n0.514652 0.877955 0.274103 H\n0.485348 0.377955 0.225897 H\n0.485348 0.122045 0.725897 H\n0.180145 0.654008 0.535036 H\n0.180145 0.845992 0.035036 H\n0.819855 0.345992 0.464964 H\n0.819855 0.154008 0.964964 H\n0.216947 0.792024 0.683821 H\n0.216947 0.707976 0.183821 H\n0.783053 0.207976 0.316179 H\n0.783053 0.292024 0.816179 H\n0.372582 0.609901 0.608141 H\n0.372582 0.890099 0.108141 H\n0.627418 0.390099 0.391859 H\n0.627418 0.109901 0.891859 H\n0.383063 0.436416 0.715007 H\n0.383063 0.063584 0.215007 H\n0.616937 0.563584 0.284993 H\n0.616937 0.936416 0.784993 H\n0.219067 0.622512 0.790112 H\n0.219067 0.877488 0.290112 H\n0.780933 0.377488 0.209888 H\n0.780933 0.122512 0.709888 H\n",
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{
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