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"results": [
{
"id": "mp-1520675",
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"structure_string": "Ba2 Sr2 Sm2 W2 O12\n1.0\n6.025703 0.009547 -0.034129\n0.002287 6.053710 0.013244\n-0.060430 0.007210 8.484443\nBa Sr Sm W O\n2 2 2 2 12\ndirect\n0.993116 0.025337 0.250599 Ba\n0.006884 0.974663 0.749401 Ba\n0.506583 0.535397 0.247615 Sr\n0.493417 0.464603 0.752385 Sr\n0.000000 0.500000 -0.000000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.000000 -0.000000 W\n0.000000 0.500000 0.500000 W\n0.236674 0.201796 0.976390 O\n0.266259 0.698425 0.537818 O\n0.763326 0.798204 0.023610 O\n0.733741 0.301575 0.462182 O\n0.303132 0.727597 0.960104 O\n0.207024 0.238447 0.539175 O\n0.696868 0.272403 0.039896 O\n0.792976 0.761553 0.460825 O\n0.440568 0.974712 0.230441 O\n0.075797 0.501686 0.270290 O\n0.559432 0.025288 0.769559 O\n0.924203 0.498314 0.729710 O\n",
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{
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"formula_full": "Mn1 In2 Se2 S2",
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"spacegroup": 160
},
{
"id": "mp-766262",
"created_at": "2022-09-04T14:44:55.483437Z",
"structure_string": "H20 C3 N4 O10\n1.0\n0.000000 5.276373 8.005983\n3.623429 0.000000 8.005983\n3.623429 5.276373 0.000000\nH C N O\n20 3 4 10\ndirect\n0.369792 0.920045 0.418175 H\n0.655133 0.442004 0.557996 H\n0.899847 0.784014 0.215986 H\n0.111352 0.222771 0.462875 H\n0.777229 0.888648 0.796998 H\n0.101513 0.046543 0.626735 H\n0.953457 0.898487 0.774792 H\n0.708012 0.581825 0.079955 H\n0.321607 0.479540 0.175745 H\n0.520460 0.678393 0.976891 H\n0.175745 0.023109 0.321607 H\n0.976891 0.824255 0.520460 H\n0.079955 0.630208 0.708012 H\n0.626735 0.225208 0.101513 H\n0.774792 0.373265 0.953457 H\n0.796998 0.537125 0.777229 H\n0.462875 0.203002 0.111352 H\n0.215986 0.100153 0.899847 H\n0.557996 0.344867 0.655133 H\n0.418175 0.291988 0.369792 H\n0.070171 0.929829 0.070171 C\n0.804413 0.637705 0.362295 C\n0.362295 0.195587 0.804413 C\n0.189416 0.052196 0.458781 N\n0.947804 0.810584 0.700393 N\n0.458781 0.299607 0.189416 N\n0.700393 0.541219 0.947804 N\n0.946484 0.053516 0.946484 O\n0.936023 0.530327 0.469673 O\n0.661140 0.338860 0.661140 O\n0.677261 0.623570 0.376430 O\n0.794083 0.782326 0.217674 O\n0.201220 0.941161 0.058839 O\n0.469673 0.063977 0.936023 O\n0.217674 0.205917 0.794083 O\n0.376430 0.322739 0.677261 O\n0.058839 0.798780 0.201220 O\n",
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],
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"formula_full": "H20 C3 N4 O10",
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"spacegroup": 42
},
{
"id": "mp-20570",
"created_at": "2022-09-04T14:44:55.487586Z",
"structure_string": "Ho4 Co4 O12\n1.0\n5.214749 0.000000 0.000000\n0.000000 5.735380 0.000000\n0.000000 0.000000 7.328904\nHo Co O\n4 4 12\ndirect\n0.024537 0.914355 0.750000 Ho\n0.524537 0.585645 0.250000 Ho\n0.475463 0.414355 0.750000 Ho\n0.975463 0.085645 0.250000 Ho\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.698132 0.316808 0.447250 O\n0.198132 0.183192 0.552750 O\n0.801868 0.816808 0.052750 O\n0.301868 0.683192 0.947250 O\n0.301868 0.683192 0.552750 O\n0.801868 0.816808 0.447250 O\n0.198132 0.183192 0.947250 O\n0.698132 0.316808 0.052750 O\n0.112249 0.468099 0.250000 O\n0.612249 0.031901 0.750000 O\n0.887751 0.531901 0.750000 O\n0.387751 0.968099 0.250000 O\n",
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"elements": [
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"chemical_system": "Co-Ho-O",
"density": 8.238013532166546,
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"volume": 219.1970171972515,
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"formula_full": "Ho4 Co4 O12",
"formula_reduced": "HoCoO3",
"formula_anonymous": "ABC3",
"energy": -158.92385382,
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"updated_at": "2021-11-28T01:36:48.801000Z",
"spacegroup": 62
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{
"id": "mp-1214204",
"created_at": "2022-09-04T14:44:55.488602Z",
"structure_string": "Ca10 S6 O24 F2\n1.0\n4.800778 -8.315192 0.000000\n4.800778 8.315192 0.000000\n0.000000 0.000000 6.999895\nCa S O F\n10 6 24 2\ndirect\n0.258118 0.238894 0.250000 Ca\n0.741882 0.761106 0.750000 Ca\n0.761106 0.019224 0.250000 Ca\n0.238894 0.980776 0.750000 Ca\n0.980776 0.741882 0.250000 Ca\n0.019224 0.258118 0.750000 Ca\n0.333333 0.666667 0.993689 Ca\n0.666667 0.333333 0.006311 Ca\n0.666667 0.333333 0.493689 Ca\n0.333333 0.666667 0.506311 Ca\n0.389623 0.994440 0.250000 S\n0.610377 0.005560 0.750000 S\n0.005560 0.395183 0.250000 S\n0.994440 0.604817 0.750000 S\n0.604817 0.610377 0.250000 S\n0.395183 0.389623 0.750000 S\n0.599485 0.139086 0.250000 O\n0.400515 0.860914 0.750000 O\n0.860914 0.460399 0.250000 O\n0.139086 0.539601 0.750000 O\n0.539601 0.400515 0.250000 O\n0.460399 0.599485 0.750000 O\n0.198638 0.457795 0.250000 O\n0.801362 0.542205 0.750000 O\n0.542205 0.740843 0.250000 O\n0.457795 0.259157 0.750000 O\n0.259157 0.801362 0.250000 O\n0.740843 0.198638 0.750000 O\n0.336715 0.056449 0.077962 O\n0.663285 0.943551 0.922038 O\n0.943551 0.280266 0.077962 O\n0.663285 0.943551 0.577962 O\n0.056449 0.719734 0.922038 O\n0.336715 0.056449 0.422038 O\n0.719734 0.663285 0.077962 O\n0.056449 0.719734 0.577962 O\n0.280266 0.336715 0.922038 O\n0.943551 0.280266 0.422038 O\n0.280266 0.336715 0.577962 O\n0.719734 0.663285 0.422038 O\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n",
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"formula_full": "Ca10 S6 O24 F2",
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},
{
"id": "mp-1029251",
"created_at": "2022-09-04T14:44:55.553433Z",
"structure_string": "Li4 Ru4 N4\n1.0\n2.953141 0.000000 0.000000\n0.000000 4.747631 0.000000\n0.000000 0.000000 9.725969\nLi Ru N\n4 4 4\ndirect\n0.250000 0.728707 0.489313 Li\n0.250000 0.771293 0.989313 Li\n0.750000 0.271293 0.510687 Li\n0.750000 0.228707 0.010687 Li\n0.250000 0.461591 0.744341 Ru\n0.250000 0.038409 0.244341 Ru\n0.750000 0.538409 0.255659 Ru\n0.750000 0.961591 0.755659 Ru\n0.250000 0.138775 0.864535 N\n0.250000 0.361225 0.364535 N\n0.750000 0.861225 0.135465 N\n0.750000 0.638775 0.635465 N\n",
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"volume": 136.3622068466154,
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"formula_full": "Li4 Ru4 N4",
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{
"id": "mp-1221086",
"created_at": "2022-09-04T14:44:55.483888Z",
"structure_string": "Na1 Mg3 V3 Cr3 Si6 B3 H3 O31\n1.0\n7.617341 0.000000 0.000000\n-2.532856 9.457648 0.000000\n-2.563426 -4.712186 8.219447\nNa Mg V Cr Si B H O\n1 3 3 3 6 3 3 31\ndirect\n0.770571 0.999876 0.000022 Na\n0.423191 0.769673 0.337935 Mg\n0.091742 0.664942 0.434811 Mg\n0.426603 0.336564 0.771678 Mg\n0.423195 0.997276 0.191574 V\n0.239090 0.812807 0.807494 V\n0.408238 0.182234 0.999699 V\n0.654653 0.563779 0.227583 Cr\n0.653000 0.227219 0.563626 Cr\n0.093271 0.439234 0.664419 Cr\n0.000498 0.813695 0.187778 Si\n0.815061 0.808158 0.622622 Si\n0.186558 0.377296 0.184343 Si\n0.001556 0.188219 0.814088 Si\n0.187349 0.185481 0.376475 Si\n0.815270 0.623288 0.807093 Si\n0.432287 0.670129 0.999328 B\n0.437436 0.001290 0.669681 B\n0.758519 0.331098 0.329056 B\n0.742912 0.002572 0.386490 H\n0.356814 0.611828 0.614716 H\n0.739289 0.381429 0.003472 H\n0.004541 0.999886 0.270624 O\n0.734882 0.728039 0.727393 O\n0.003584 0.269603 0.997836 O\n0.616991 0.006120 0.389833 O\n0.227417 0.608389 0.614055 O\n0.611984 0.381167 0.006034 O\n0.842578 0.725128 0.996219 O\n0.840489 0.998531 0.722739 O\n0.118333 0.270427 0.269736 O\n0.247300 0.016303 0.004644 O\n0.222853 0.828812 0.198267 O\n0.028958 0.801092 0.631977 O\n0.397058 0.371197 0.168241 O\n0.225266 0.197547 0.830992 O\n0.399779 0.174067 0.379541 O\n0.028622 0.626969 0.796899 O\n0.920903 0.716582 0.274378 O\n0.653931 0.717586 0.436847 O\n0.207572 0.558126 0.278548 O\n0.929677 0.279020 0.716568 O\n0.202894 0.281994 0.559261 O\n0.653446 0.437755 0.718111 O\n0.508496 0.677073 0.145312 O\n0.359117 0.856297 0.534183 O\n0.820868 0.474073 0.329766 O\n0.510202 0.149253 0.677876 O\n0.825683 0.325431 0.471757 O\n0.347350 0.526367 0.854639 O\n0.439260 0.817212 0.998730 O\n0.445427 0.007274 0.821603 O\n0.624686 0.184594 0.183403 O\n",
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{
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{
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