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{
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"results": [
{
"id": "mp-753977",
"created_at": "2022-09-04T14:44:20.611895Z",
"structure_string": "Li8 Mn6 O4 F12\n1.0\n6.187781 0.191419 0.159545\n-1.539690 4.480679 -5.082834\n1.877703 6.361266 5.058726\nLi Mn O F\n8 6 4 12\ndirect\n0.997943 0.999781 0.023806 Li\n0.997893 0.499884 0.523805 Li\n0.252044 0.750125 0.726600 Li\n0.251882 0.250191 0.226578 Li\n0.470330 0.492616 0.476609 Li\n0.470313 0.992567 0.976491 Li\n0.780133 0.757489 0.773808 Li\n0.780038 0.257433 0.273812 Li\n0.124847 0.625140 0.125110 Mn\n0.362741 0.880029 0.362266 Mn\n0.886920 0.370032 0.888084 Mn\n0.124951 0.125291 0.625093 Mn\n0.363528 0.380045 0.862396 Mn\n0.886296 0.869930 0.387943 Mn\n0.185675 0.917564 0.182238 O\n0.186504 0.417824 0.682522 O\n0.064357 0.833258 0.567465 O\n0.064259 0.333136 0.067762 O\n0.295348 0.057020 0.819526 F\n0.295212 0.557054 0.319592 F\n0.954695 0.192310 0.428690 F\n0.954717 0.692439 0.928725 F\n0.438607 0.206608 0.400208 F\n0.438860 0.706668 0.900060 F\n0.811252 0.042166 0.850128 F\n0.811087 0.541612 0.350423 F\n0.712338 0.967009 0.213391 F\n0.712984 0.466933 0.713640 F\n0.537141 0.783986 0.536620 F\n0.537105 0.283858 0.036613 F\n",
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"formula_full": "Li8 Mn6 O4 F12",
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"spacegroup": 2
},
{
"id": "mp-1031259",
"created_at": "2022-09-04T14:44:21.477531Z",
"structure_string": "Cs1 K1 Mg6 O7\n1.0\n8.046152 0.000000 0.000000\n0.000000 4.992207 0.000000\n0.000000 0.000000 4.992207\nCs K Mg O\n1 1 6 7\ndirect\n0.424163 0.000000 0.000000 Cs\n0.014868 0.000000 0.000000 K\n0.004913 0.500000 0.500000 Mg\n0.512453 0.500000 0.500000 Mg\n0.253302 0.000000 0.500000 Mg\n0.753437 0.000000 0.500000 Mg\n0.253302 0.500000 0.000000 Mg\n0.753437 0.500000 -0.000000 Mg\n0.730764 0.000000 0.000000 O\n0.259102 0.500000 0.500000 O\n0.758117 0.500000 0.500000 O\n0.014792 0.000000 0.500000 O\n0.501279 0.000000 0.500000 O\n0.014792 0.500000 -0.000000 O\n0.501279 0.500000 -0.000000 O\n",
"nsites": 15,
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"elements": [
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"Mg",
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],
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"density": 3.559360414626803,
"density_atomic": 0.07480280036043994,
"volume": 200.5272520242821,
"volume_molar": 8.05068891937481,
"formula_full": "Cs1 K1 Mg6 O7",
"formula_reduced": "CsKMg6O7",
"formula_anonymous": "ABC6D7",
"energy": -77.34684376999999,
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"updated_at": "2021-11-28T01:36:23.728000Z",
"spacegroup": 99
},
{
"id": "mp-849770",
"created_at": "2022-09-04T14:44:21.538923Z",
"structure_string": "Co2 P2 O8\n1.0\n2.668605 4.324350 0.000000\n-2.668605 4.324350 0.000000\n0.000000 2.468710 8.414321\nCo P O\n2 2 8\ndirect\n0.698946 0.304221 0.747467 Co\n0.304221 0.698946 0.247467 Co\n0.926830 0.322461 0.374220 P\n0.322461 0.926830 0.874220 P\n0.698861 0.437329 0.257496 O\n0.777109 0.230833 0.540743 O\n0.055110 0.206906 0.814756 O\n0.560575 0.032339 0.883354 O\n0.206906 0.055110 0.314756 O\n0.437329 0.698861 0.757496 O\n0.032339 0.560575 0.383354 O\n0.230833 0.777109 0.040743 O\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Co-O-P",
"density": 2.631942324215333,
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"volume": 194.20222629875337,
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"formula_full": "Co2 P2 O8",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
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"spacegroup": 9
},
{
"id": "mp-767535",
"created_at": "2022-09-04T14:44:21.951073Z",
"structure_string": "Na2 Hf2 P2 C2 O14\n1.0\n6.655543 0.000000 0.000000\n0.000000 5.555237 0.000000\n0.000000 0.380584 9.300247\nNa Hf P C O\n2 2 2 2 14\ndirect\n0.506383 0.759194 0.796399 Na\n0.006383 0.240806 0.203601 Na\n0.233312 0.209097 0.657432 Hf\n0.733312 0.790903 0.342568 Hf\n0.740037 0.275578 0.561235 P\n0.240037 0.724422 0.438765 P\n0.265737 0.276660 0.926307 C\n0.765737 0.723340 0.073693 C\n0.753207 0.687151 0.944321 O\n0.263364 0.059481 0.867932 O\n0.275975 0.452085 0.822151 O\n0.926296 0.220698 0.655741 O\n0.550080 0.199709 0.644871 O\n0.256048 0.867913 0.578626 O\n0.731710 0.548548 0.517671 O\n0.231710 0.451452 0.482329 O\n0.756048 0.132087 0.421374 O\n0.050080 0.800291 0.355129 O\n0.426296 0.779302 0.344259 O\n0.775975 0.547915 0.177849 O\n0.763364 0.940519 0.132068 O\n0.253207 0.312849 0.055679 O\n",
"nsites": 22,
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"C",
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],
"chemical_system": "C-Hf-Na-O-P",
"density": 3.4427807478539645,
"density_atomic": 0.06397968721015213,
"volume": 343.8591365371523,
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"formula_full": "Na2 Hf2 P2 C2 O14",
"formula_reduced": "NaHfPCO7",
"formula_anonymous": "ABCDE7",
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"updated_at": "2021-11-28T01:36:42.289000Z",
"spacegroup": 4
},
{
"id": "mp-9566",
"created_at": "2022-09-04T14:44:22.283485Z",
"structure_string": "Sr1 Mg2 Sb2\n1.0\n2.377204 -4.117438 0.000000\n2.377204 4.117438 0.000000\n0.000000 0.000000 7.887666\nSr Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.372265 Mg\n0.333333 0.666667 0.627735 Mg\n0.333333 0.666667 0.256161 Sb\n0.666667 0.333333 0.743839 Sb\n",
"nsites": 5,
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"elements": [
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"Mg",
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],
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"density": 4.083897669066742,
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"volume": 154.40879317758547,
"volume_molar": 18.597429741942946,
"formula_full": "Sr1 Mg2 Sb2",
"formula_reduced": "Sr(MgSb)2",
"formula_anonymous": "AB2C2",
"energy": -17.28900282,
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"updated_at": "2021-11-28T01:36:34.192000Z",
"spacegroup": 164
},
{
"id": "mp-1204915",
"created_at": "2022-09-04T14:44:22.322071Z",
"structure_string": "K8 Se4 S12 O28\n1.0\n19.296121 0.000000 0.000000\n0.000000 5.686190 0.000000\n0.000000 0.069943 9.625896\nK Se S O\n8 4 12 28\ndirect\n0.106942 0.856999 0.999488 K\n0.606942 0.143001 0.500512 K\n0.893058 0.143001 0.000512 K\n0.393058 0.856999 0.499488 K\n0.253724 0.297835 0.155894 K\n0.753724 0.702165 0.344106 K\n0.746276 0.702165 0.844106 K\n0.246276 0.297835 0.655894 K\n0.102997 0.721906 0.460793 Se\n0.602997 0.278094 0.039207 Se\n0.897003 0.278094 0.539207 Se\n0.397003 0.721906 0.960793 Se\n0.079815 0.360454 0.407556 S\n0.579815 0.639546 0.092444 S\n0.920185 0.639546 0.592444 S\n0.420185 0.360454 0.907556 S\n0.215535 0.776531 0.367810 S\n0.715535 0.223469 0.132190 S\n0.784465 0.223469 0.632190 S\n0.284465 0.776531 0.867810 S\n0.050070 0.366558 0.185298 S\n0.550070 0.633442 0.314702 S\n0.949930 0.633442 0.814702 S\n0.449930 0.366558 0.685298 S\n0.256478 0.569166 0.408760 O\n0.756478 0.430834 0.091240 O\n0.743522 0.430834 0.591240 O\n0.243522 0.569166 0.908760 O\n0.206377 0.796714 0.216332 O\n0.706377 0.203286 0.283668 O\n0.793623 0.203286 0.783668 O\n0.293623 0.796714 0.716332 O\n0.238328 0.997159 0.431730 O\n0.738328 0.002841 0.068270 O\n0.761672 0.002841 0.568270 O\n0.261672 0.997159 0.931730 O\n0.007373 0.154237 0.179642 O\n0.507373 0.845763 0.320358 O\n0.992627 0.845763 0.820358 O\n0.492627 0.154237 0.679642 O\n0.115497 0.344434 0.107198 O\n0.615497 0.655566 0.392802 O\n0.884503 0.655566 0.892802 O\n0.384503 0.344434 0.607198 O\n0.014579 0.589554 0.162493 O\n0.514579 0.410446 0.337507 O\n0.985421 0.410446 0.837507 O\n0.485421 0.589554 0.662493 O\n0.615147 0.842198 0.746470 O\n0.115147 0.157802 0.753530 O\n0.384853 0.157802 0.253530 O\n0.884853 0.842198 0.246470 O\n",
"nsites": 52,
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"elements": [
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"S",
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],
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"formula_full": "K8 Se4 S12 O28",
"formula_reduced": "K2SeS3O7",
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},
{
"id": "mp-1021656",
"created_at": "2022-09-04T14:44:22.350212Z",
"structure_string": "Li1 Ce1 Mg6\n1.0\n6.752393 -0.013909 0.000000\n-3.388242 5.868607 0.000000\n0.000000 0.000000 5.213423\nLi Ce Mg\n1 1 6\ndirect\n0.176684 0.338342 0.250000 Li\n0.174473 0.837236 0.250000 Ce\n0.659196 0.345772 0.250000 Mg\n0.659196 0.813423 0.250000 Mg\n0.335875 0.180108 0.750000 Mg\n0.335875 0.655768 0.750000 Mg\n0.830477 0.165239 0.750000 Mg\n0.828222 0.664112 0.750000 Mg\n",
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"formula_full": "Li1 Ce1 Mg6",
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{
"id": "mp-1208547",
"created_at": "2022-09-04T14:44:22.352109Z",
"structure_string": "Tb4 Ga18 Rh6\n1.0\n3.791052 -6.552880 0.000000\n3.791052 6.552880 0.000000\n0.000000 0.000000 9.545004\nTb Ga Rh\n4 18 6\ndirect\n0.996973 0.667724 0.250000 Tb\n0.003027 0.332276 0.750000 Tb\n0.667724 0.996973 0.250000 Tb\n0.332276 0.003027 0.750000 Tb\n0.124889 0.124889 0.250000 Ga\n0.875111 0.875111 0.750000 Ga\n0.000525 0.333804 0.077191 Ga\n0.999475 0.666196 0.922809 Ga\n0.999475 0.666196 0.577191 Ga\n0.333804 0.000525 0.422809 Ga\n0.000525 0.333804 0.422809 Ga\n0.666196 0.999475 0.577191 Ga\n0.666196 0.999475 0.922809 Ga\n0.333804 0.000525 0.077191 Ga\n0.334157 0.334157 0.561408 Ga\n0.665843 0.665843 0.438592 Ga\n0.665843 0.665843 0.061408 Ga\n0.334157 0.334157 0.938592 Ga\n0.337291 0.546620 0.250000 Ga\n0.662709 0.453380 0.750000 Ga\n0.546620 0.337291 0.250000 Ga\n0.453380 0.662709 0.750000 Ga\n0.671631 0.328369 0.000000 Rh\n0.328369 0.671631 0.000000 Rh\n0.328369 0.671631 0.500000 Rh\n0.671631 0.328369 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 28,
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],
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"density": 8.782218933383083,
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"volume": 474.2398742985891,
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"formula_full": "Tb4 Ga18 Rh6",
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{
"id": "mp-1305214",
"created_at": "2022-09-04T14:44:20.639267Z",
"structure_string": "Li2 Cr2 Co4 O12\n1.0\n0.636648 2.830477 -0.027622\n-7.283105 3.114463 5.841026\n4.376003 -2.558282 5.760662\nLi Cr Co O\n2 2 4 12\ndirect\n0.663795 0.250143 0.582235 Li\n0.665774 0.749503 0.086275 Li\n0.680008 0.499242 0.831896 Cr\n0.666952 0.000098 0.334082 Cr\n0.337360 0.992623 0.670094 Co\n0.996487 0.008045 0.998006 Co\n0.338792 0.487855 0.167117 Co\n0.979509 0.510230 0.498935 Co\n0.504949 0.102172 0.108211 O\n0.492393 0.603989 0.609868 O\n0.829725 0.898485 0.560181 O\n0.899878 0.390157 0.045307 O\n0.189257 0.103886 0.470876 O\n0.199731 0.603698 0.966553 O\n0.143923 0.896765 0.196825 O\n0.149095 0.397014 0.695797 O\n0.844905 0.096211 0.778916 O\n0.789893 0.599964 0.283780 O\n0.488948 0.904693 0.889047 O\n0.471958 0.405225 0.392660 O\n",
"nsites": 20,
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{
"id": "mp-1025464",
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"structure_string": "Sc3 Ni1 C4\n1.0\n-1.725991 2.186262 5.949225\n1.725991 -2.186262 5.949225\n1.725991 2.186262 -5.949225\nSc Ni C\n3 1 4\ndirect\n0.187109 0.687109 0.500000 Sc\n0.812891 0.312891 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Ni\n0.457807 0.124164 0.333644 C\n0.542193 0.875836 0.666356 C\n0.790520 0.124164 0.666356 C\n0.209480 0.875836 0.333644 C\n",
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"updated_at": "2021-11-28T01:36:28.481000Z",
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},
{
"id": "mp-1195977",
"created_at": "2022-09-04T14:44:19.636122Z",
"structure_string": "Cs4 Ca4 P12 H8 O40\n1.0\n-8.216436 -0.000007 4.206144\n-0.015642 0.000003 -10.125786\n-0.000008 -12.473689 0.000004\nCs Ca P H O\n4 4 12 8 40\ndirect\n0.922976 0.453369 0.791315 Cs\n0.077026 0.046633 0.291316 Cs\n0.077022 0.546631 0.208685 Cs\n0.922974 0.953367 0.708685 Cs\n0.401707 0.212234 0.601881 Ca\n0.598290 0.287763 0.101886 Ca\n0.598288 0.787762 0.398113 Ca\n0.401709 0.712237 0.898118 Ca\n0.897767 0.662306 0.481291 P\n0.102233 0.837695 0.981292 P\n0.102233 0.337695 0.518708 P\n0.897767 0.162306 0.018710 P\n0.319925 0.634819 0.612704 P\n0.680078 0.865182 0.112704 P\n0.680076 0.365182 0.387295 P\n0.319924 0.134819 0.887298 P\n0.259707 0.348167 0.017038 P\n0.740293 0.151831 0.517037 P\n0.740294 0.651832 0.982963 P\n0.259707 0.848168 0.482962 P\n0.444746 0.515485 0.236672 H\n0.555254 0.984515 0.736673 H\n0.555254 0.484515 0.763327 H\n0.444746 0.015485 0.263327 H\n0.356762 0.477372 0.347784 H\n0.643238 0.022628 0.847785 H\n0.643238 0.522628 0.652216 H\n0.356762 0.977372 0.152216 H\n0.113047 0.339340 0.398745 O\n0.886953 0.160660 0.898745 O\n0.886952 0.660660 0.601255 O\n0.113048 0.839341 0.101255 O\n0.181761 0.263354 0.583007 O\n0.818239 0.236646 0.083008 O\n0.818239 0.736646 0.416993 O\n0.181762 0.763354 0.916993 O\n0.155983 0.504520 0.562485 O\n0.844018 0.995480 0.062485 O\n0.844018 0.495482 0.437514 O\n0.155984 0.004520 0.937515 O\n0.315444 0.114200 0.768503 O\n0.684556 0.385800 0.268502 O\n0.684556 0.885799 0.231496 O\n0.315446 0.614201 0.731497 O\n0.533861 0.846823 0.049834 O\n0.466138 0.653177 0.549832 O\n0.466138 0.153177 0.950167 O\n0.533861 0.346823 0.450167 O\n0.718643 0.224982 0.406662 O\n0.281357 0.275017 0.906663 O\n0.281357 0.775017 0.593337 O\n0.718642 0.724983 0.093338 O\n0.750601 0.013395 0.485969 O\n0.249399 0.486605 0.985970 O\n0.249399 0.986605 0.514031 O\n0.750602 0.513396 0.014032 O\n0.619358 0.645750 0.899388 O\n0.380644 0.854249 0.399389 O\n0.380644 0.354250 0.100612 O\n0.619355 0.145750 0.600611 O\n0.085093 0.227967 0.062358 O\n0.914907 0.272033 0.562357 O\n0.914907 0.772033 0.937643 O\n0.085094 0.727967 0.437643 O\n0.423930 0.060327 0.199197 O\n0.576067 0.439672 0.699196 O\n0.576069 0.939672 0.800803 O\n0.423930 0.560328 0.300803 O\n",
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}
]
}