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{
"id": "mp-1199443",
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"structure_string": "Sn8 H48 C8 N24 Cl24\n1.0\n7.953218 0.000000 0.000000\n0.000000 12.396789 0.000000\n0.000000 0.000000 18.290690\nSn H C N Cl\n8 48 8 24 24\ndirect\n0.674017 0.761541 0.380946 Sn\n0.174017 0.738459 0.619054 Sn\n0.325983 0.261541 0.119054 Sn\n0.825983 0.238459 0.880946 Sn\n0.325983 0.238459 0.619054 Sn\n0.825983 0.261541 0.380946 Sn\n0.674017 0.738459 0.880946 Sn\n0.174017 0.761541 0.119054 Sn\n0.020025 0.939484 0.302912 H\n0.520025 0.560516 0.697088 H\n0.979975 0.439484 0.197088 H\n0.479975 0.060516 0.802912 H\n0.979975 0.060516 0.697088 H\n0.479975 0.439484 0.302912 H\n0.020025 0.560516 0.802912 H\n0.520025 0.939484 0.197088 H\n0.105797 0.050067 0.258645 H\n0.605797 0.449933 0.741355 H\n0.894203 0.550067 0.241355 H\n0.394203 0.949933 0.758645 H\n0.894203 0.949933 0.741355 H\n0.394203 0.550067 0.258645 H\n0.105797 0.449933 0.758645 H\n0.605797 0.050067 0.241355 H\n0.295898 0.165130 0.321682 H\n0.795898 0.334870 0.678318 H\n0.704102 0.665130 0.178318 H\n0.204102 0.834870 0.821682 H\n0.704102 0.834870 0.678318 H\n0.204102 0.665130 0.321682 H\n0.295898 0.334870 0.821682 H\n0.795898 0.165130 0.178318 H\n0.371986 0.125966 0.406764 H\n0.871986 0.374034 0.593236 H\n0.628014 0.625966 0.093236 H\n0.128014 0.874034 0.906764 H\n0.628014 0.874034 0.593236 H\n0.128014 0.625966 0.406764 H\n0.371986 0.374034 0.906764 H\n0.871986 0.125966 0.093236 H\n0.092757 0.902976 0.425272 H\n0.592757 0.597024 0.574728 H\n0.907243 0.402976 0.074728 H\n0.407243 0.097024 0.925272 H\n0.907243 0.097024 0.574728 H\n0.407243 0.402976 0.425272 H\n0.092757 0.597024 0.925272 H\n0.592757 0.902976 0.074728 H\n0.262796 0.971828 0.463468 H\n0.762796 0.528172 0.536532 H\n0.737204 0.471828 0.036532 H\n0.237204 0.028172 0.963468 H\n0.737204 0.028172 0.536532 H\n0.237204 0.471828 0.463468 H\n0.262796 0.528172 0.963468 H\n0.762796 0.971828 0.036532 H\n0.188724 0.027411 0.363292 C\n0.688724 0.472589 0.636708 C\n0.811276 0.527411 0.136708 C\n0.311276 0.972589 0.863292 C\n0.811276 0.972589 0.636708 C\n0.311276 0.527411 0.363292 C\n0.188724 0.472589 0.863292 C\n0.688724 0.027411 0.136708 C\n0.086373 0.009945 0.306300 N\n0.586373 0.490055 0.693700 N\n0.913627 0.509945 0.193700 N\n0.413627 0.990055 0.806300 N\n0.913627 0.990055 0.693700 N\n0.413627 0.509945 0.306300 N\n0.086373 0.490055 0.806300 N\n0.586373 0.009945 0.193700 N\n0.296373 0.110300 0.362937 N\n0.796373 0.389700 0.637063 N\n0.703627 0.610300 0.137063 N\n0.203627 0.889700 0.862937 N\n0.703627 0.889700 0.637063 N\n0.203627 0.610300 0.362937 N\n0.296373 0.389700 0.862937 N\n0.796373 0.110300 0.137063 N\n0.182759 0.960973 0.420773 N\n0.682759 0.539027 0.579227 N\n0.817241 0.460973 0.079227 N\n0.317241 0.039027 0.920773 N\n0.817241 0.039027 0.579227 N\n0.317241 0.460973 0.420773 N\n0.182759 0.539027 0.920773 N\n0.682759 0.960973 0.079227 N\n0.888628 0.768941 0.272880 Cl\n0.388628 0.731059 0.727120 Cl\n0.111372 0.268941 0.227120 Cl\n0.611372 0.231059 0.772880 Cl\n0.111372 0.231059 0.727120 Cl\n0.611372 0.268941 0.272880 Cl\n0.888628 0.731059 0.772880 Cl\n0.388628 0.768941 0.227120 Cl\n0.672961 0.963173 0.393821 Cl\n0.172961 0.536827 0.606179 Cl\n0.327039 0.463173 0.106179 Cl\n0.827039 0.036827 0.893821 Cl\n0.327039 0.036827 0.606179 Cl\n0.827039 0.463173 0.393821 Cl\n0.672961 0.536827 0.893821 Cl\n0.172961 0.963173 0.106179 Cl\n0.917707 0.746829 0.473255 Cl\n0.417707 0.753171 0.526745 Cl\n0.082293 0.246829 0.026745 Cl\n0.582293 0.253171 0.973255 Cl\n0.082293 0.253171 0.526745 Cl\n0.582293 0.246829 0.473255 Cl\n0.917707 0.753171 0.973255 Cl\n0.417707 0.746829 0.026745 Cl\n",
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"elements": [
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"H",
"C",
"N",
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],
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"density": 2.1005178482844475,
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"formula_full": "Sn8 H48 C8 N24 Cl24",
"formula_reduced": "SnH6C(NCl)3",
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{
"id": "mp-1196378",
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"structure_string": "V2 H24 S2 O22\n1.0\n6.225538 0.000000 0.000000\n-0.782605 7.520577 0.000000\n-2.019147 -0.487686 10.038561\nV H S O\n2 24 2 22\ndirect\n0.929729 0.731421 0.718020 V\n0.070271 0.268579 0.281980 V\n0.011584 0.047490 0.849755 H\n0.988416 0.952510 0.150245 H\n0.741350 0.005638 0.808790 H\n0.258650 0.994362 0.191210 H\n0.294420 0.744320 0.912638 H\n0.705580 0.255680 0.087362 H\n0.344296 0.874921 0.795483 H\n0.655704 0.125079 0.204517 H\n0.517849 0.557270 0.689132 H\n0.482151 0.442730 0.310868 H\n0.500131 0.710860 0.577999 H\n0.499869 0.289140 0.422001 H\n0.824962 0.691020 0.970502 H\n0.175038 0.308980 0.029498 H\n0.806912 0.493254 0.909021 H\n0.193088 0.506746 0.090979 H\n0.867958 0.382518 0.619216 H\n0.132042 0.617482 0.380784 H\n0.125429 0.430545 0.697032 H\n0.874571 0.569455 0.302968 H\n0.604697 0.143944 0.610464 H\n0.395303 0.856056 0.389536 H\n0.770391 0.124660 0.508894 H\n0.229609 0.875340 0.491106 H\n0.563498 0.766984 0.170177 S\n0.436502 0.233016 0.829823 S\n0.966004 0.833651 0.583266 O\n0.033996 0.166349 0.416734 O\n0.883899 0.952822 0.827507 O\n0.116101 0.047178 0.172493 O\n0.255280 0.764846 0.814887 O\n0.744720 0.235154 0.185113 O\n0.598040 0.660741 0.654351 O\n0.401960 0.339259 0.345649 O\n0.873214 0.617152 0.902684 O\n0.126786 0.382848 0.097316 O\n0.976879 0.475490 0.673253 O\n0.023121 0.524510 0.326747 O\n0.676401 0.204489 0.542862 O\n0.323599 0.795511 0.457138 O\n0.623721 0.629154 0.268122 O\n0.376279 0.370846 0.731878 O\n0.359597 0.699618 0.072299 O\n0.640403 0.300382 0.927701 O\n0.747319 0.818058 0.101223 O\n0.252681 0.181942 0.898777 O\n0.516515 0.929906 0.245136 O\n0.483485 0.070094 0.754864 O\n",
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"spacegroup": 2
},
{
"id": "mp-1093950",
"created_at": "2022-09-04T14:48:29.165825Z",
"structure_string": "Y2 Co1 Ir1\n1.0\n-4.828884 5.973797 8.422753\n4.828884 -5.973797 8.422753\n4.828884 5.973797 -8.422753\nY Co Ir\n2 1 1\ndirect\n0.000000 0.243012 0.243012 Y\n0.000000 0.756988 0.756988 Y\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ir\n",
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{
"id": "mp-1249333",
"created_at": "2022-09-04T14:48:29.001562Z",
"structure_string": "Mg10 Al8 Fe2 Si12 O48\n1.0\n7.080521 0.645228 -2.870675\n-0.242375 14.032935 -5.580031\n0.034628 0.150583 9.129192\nMg Al Fe Si O\n10 8 2 12 48\ndirect\n0.008811 0.981372 0.955824 Mg\n0.996854 0.292662 0.124459 Mg\n0.007592 0.795496 0.101169 Mg\n0.343054 0.145298 0.595808 Mg\n0.342055 0.620986 0.611832 Mg\n0.606741 0.515281 0.057966 Mg\n0.729865 0.428120 0.514185 Mg\n0.775364 0.925027 0.529205 Mg\n0.719868 0.123005 0.466696 Mg\n0.690062 0.620153 0.456597 Mg\n0.111087 0.070124 0.709922 Al\n0.094684 0.567802 0.726055 Al\n0.425343 0.420328 0.216400 Al\n0.452780 0.927483 0.207892 Al\n0.604711 0.347577 0.730586 Al\n0.603606 0.841762 0.699501 Al\n0.772467 0.174803 0.216916 Al\n0.894106 0.673493 0.222982 Al\n0.985342 0.463076 0.958849 Fe\n0.615823 0.988286 0.994943 Fe\n0.957940 0.276631 0.640085 Si\n0.972224 0.768385 0.624346 Si\n0.294469 0.397637 0.491610 Si\n0.313943 0.912506 0.474490 Si\n0.328365 0.114329 0.109826 Si\n0.282215 0.605360 0.128192 Si\n0.700685 0.082442 0.788178 Si\n0.703835 0.578630 0.800598 Si\n0.553890 0.283776 0.981117 Si\n0.564717 0.772100 0.979012 Si\n0.903922 0.472475 0.315923 Si\n0.915671 0.977092 0.290344 Si\n0.110016 0.184530 0.666679 O\n0.115491 0.678402 0.674667 O\n0.037406 0.379050 0.749818 O\n0.021630 0.874259 0.744986 O\n0.082239 0.382324 0.357465 O\n0.109460 0.894243 0.324401 O\n0.286484 0.019271 0.597771 O\n0.279784 0.502643 0.626378 O\n0.175531 0.193962 0.163202 O\n0.115332 0.682535 0.184645 O\n0.311672 0.072729 0.911523 O\n0.277655 0.575346 0.935223 O\n0.376613 0.827861 0.558003 O\n0.386401 0.311959 0.575128 O\n0.559585 0.372208 0.916633 O\n0.576847 0.843944 0.883197 O\n0.439962 0.400566 0.397844 O\n0.476627 0.907583 0.391945 O\n0.600029 0.080715 0.583152 O\n0.590663 0.574653 0.589224 O\n0.287334 0.016513 0.140860 O\n0.247851 0.506210 0.154641 O\n0.383499 0.312432 0.056839 O\n0.396845 0.816662 0.057158 O\n0.538331 0.186883 0.822262 O\n0.526712 0.667501 0.839545 O\n0.681010 0.455393 0.740951 O\n0.670968 0.957723 0.735276 O\n0.551893 0.142121 0.224266 O\n0.498751 0.628612 0.237979 O\n0.660121 0.455679 0.267290 O\n0.678678 0.959178 0.237097 O\n0.780496 0.256546 0.687878 O\n0.762625 0.750297 0.627301 O\n0.926932 0.008396 0.504979 O\n0.914047 0.510474 0.523685 O\n0.900977 0.422648 0.112479 O\n0.910034 0.926276 0.080706 O\n0.932045 0.079174 0.811814 O\n0.914971 0.602234 0.824484 O\n0.752982 0.266218 0.124709 O\n0.772341 0.762967 0.115101 O\n0.753758 0.087687 0.996229 O\n0.775654 0.579285 0.012193 O\n0.923353 0.090727 0.314485 O\n0.896525 0.586281 0.322058 O\n0.842738 0.273854 0.442852 O\n0.917009 0.769753 0.431488 O\n",
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{
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{
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"structure_string": "Cs2 Hg1 Sb1 F6\n1.0\n0.000000 4.969942 4.969942\n4.969942 0.000000 4.969942\n4.969942 4.969942 0.000000\nCs Hg Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n0.790243 0.209757 0.209757 F\n0.209757 0.209757 0.790243 F\n0.209757 0.790243 0.790243 F\n0.209757 0.790243 0.209757 F\n0.790243 0.209757 0.790243 F\n0.790243 0.790243 0.209757 F\n",
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{
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