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{
"id": "mp-4131",
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{
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"formula_full": "Mg1 Mn4 Cu2 P6 O24",
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},
{
"id": "mp-1094285",
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"structure_string": "Sr4 Mg2\n1.0\n2.053319 -10.025617 0.000000\n2.053319 10.025617 0.000000\n0.000000 0.000000 6.253262\nSr Mg\n4 2\ndirect\n0.083880 0.916120 0.250000 Sr\n0.789212 0.210788 0.250000 Sr\n0.210788 0.789212 0.750000 Sr\n0.916120 0.083880 0.750000 Sr\n0.439561 0.560439 0.250000 Mg\n0.560439 0.439561 0.750000 Mg\n",
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"formula_full": "Sr4 Mg2",
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"spacegroup": 63
},
{
"id": "mp-1030631",
"created_at": "2022-09-04T14:39:15.638984Z",
"structure_string": "Mg3 Mn1 O4\n1.0\n4.337099 0.000000 0.000000\n0.000000 4.337099 0.000000\n0.000000 0.000000 4.337099\nMg Mn O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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"volume": 81.5826873225148,
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"formula_full": "Mg3 Mn1 O4",
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{
"id": "mp-1219814",
"created_at": "2022-09-04T14:39:13.561402Z",
"structure_string": "Re12 Pb4 S24\n1.0\n4.826342 8.133545 0.000000\n-4.826342 8.133545 0.000000\n0.000000 0.214699 11.875866\nRe Pb S\n12 4 24\ndirect\n0.887331 0.521986 0.866682 Re\n0.477725 0.115795 0.630944 Re\n0.115795 0.477725 0.130944 Re\n0.521986 0.887331 0.366682 Re\n0.989977 0.698484 0.969480 Re\n0.301794 0.013541 0.527389 Re\n0.013541 0.301794 0.027389 Re\n0.698484 0.989977 0.469480 Re\n0.195041 0.400345 0.915566 Re\n0.601296 0.807128 0.580012 Re\n0.807128 0.601296 0.080012 Re\n0.400345 0.195041 0.415566 Re\n0.887539 0.354561 0.499635 Pb\n0.354561 0.887539 0.999635 Pb\n0.743828 0.230950 0.776008 Pb\n0.230950 0.743828 0.276008 Pb\n0.730321 0.424234 0.979363 S\n0.575131 0.272355 0.518045 S\n0.272355 0.575131 0.018045 S\n0.424234 0.730321 0.479363 S\n0.952015 0.988463 0.422232 S\n0.025706 0.040934 0.074635 S\n0.040934 0.025706 0.574635 S\n0.988463 0.952015 0.922232 S\n0.736060 0.543717 0.688983 S\n0.449843 0.262787 0.805844 S\n0.262787 0.449843 0.305844 S\n0.543717 0.736060 0.188983 S\n0.919451 0.755361 0.165168 S\n0.245073 0.084783 0.330883 S\n0.084783 0.245073 0.830883 S\n0.755361 0.919451 0.665168 S\n0.204694 0.299419 0.568148 S\n0.709120 0.794966 0.924148 S\n0.794966 0.709120 0.424148 S\n0.299419 0.204694 0.068148 S\n0.937469 0.391612 0.218910 S\n0.610465 0.062697 0.276925 S\n0.062697 0.610465 0.776925 S\n0.391612 0.937469 0.718910 S\n",
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"formula_full": "Re12 Pb4 S24",
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{
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"created_at": "2022-09-04T14:39:13.569370Z",
"structure_string": "Tb1 In1 Cu2\n1.0\n0.000000 3.325290 3.325290\n3.325290 0.000000 3.325290\n3.325290 3.325290 0.000000\nTb In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n",
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{
"id": "mp-1101394",
"created_at": "2022-09-04T14:39:13.578770Z",
"structure_string": "Sn2 Ge2 O6\n1.0\n6.554271 -2.669022 0.000000\n6.554271 2.669022 0.000000\n5.467396 0.000000 4.493298\nSn Ge O\n2 2 6\ndirect\n0.166720 0.166720 0.166720 Sn\n0.833280 0.833280 0.833280 Sn\n0.391922 0.391922 0.391922 Ge\n0.608078 0.608078 0.608078 Ge\n0.104806 0.440028 0.776698 O\n0.440028 0.776698 0.104806 O\n0.223302 0.895194 0.559972 O\n0.776698 0.104806 0.440028 O\n0.559972 0.223302 0.895194 O\n0.895194 0.559972 0.223302 O\n",
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{
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"structure_string": "Li2 B2 H68 C24 N8\n1.0\n-5.388016 -9.332412 0.000000\n-5.388103 9.332462 0.000000\n0.000000 0.000000 -10.903881\nLi B H C N\n2 2 68 24 8\ndirect\n0.666637 0.333318 0.920640 Li\n0.333363 0.666682 0.420640 Li\n0.666642 0.333320 0.667297 B\n0.333358 0.666680 0.167297 B\n0.739731 0.493314 0.271069 H\n0.506678 0.246418 0.271071 H\n0.753577 0.260262 0.271068 H\n0.260269 0.506686 0.771069 H\n0.493322 0.753582 0.771071 H\n0.246423 0.739738 0.771068 H\n0.600893 0.481128 0.176751 H\n0.518861 0.119765 0.176755 H\n0.880227 0.399098 0.176751 H\n0.399107 0.518872 0.676751 H\n0.481139 0.880235 0.676755 H\n0.119773 0.600902 0.676751 H\n0.828260 0.700325 0.133292 H\n0.299662 0.127929 0.133288 H\n0.872066 0.171740 0.133292 H\n0.171740 0.299675 0.633292 H\n0.700338 0.872071 0.633288 H\n0.127934 0.828260 0.633292 H\n0.914991 0.601048 0.101054 H\n0.398944 0.313937 0.101055 H\n0.686057 0.085006 0.101056 H\n0.085009 0.398952 0.601054 H\n0.601056 0.686063 0.601055 H\n0.313943 0.914994 0.601056 H\n0.562961 0.555368 0.003690 H\n0.444634 0.007601 0.003690 H\n0.992394 0.437032 0.003690 H\n0.437039 0.444632 0.503690 H\n0.555366 0.992399 0.503690 H\n0.007606 0.562968 0.503690 H\n0.624759 0.601169 0.849747 H\n0.398832 0.023593 0.849746 H\n0.976404 0.375240 0.849745 H\n0.375241 0.398831 0.349747 H\n0.601168 0.976407 0.349746 H\n0.023596 0.624760 0.349745 H\n0.697584 0.734177 0.968743 H\n0.265825 0.963409 0.968744 H\n0.036588 0.302418 0.968742 H\n0.302416 0.265823 0.468743 H\n0.734175 0.036591 0.468744 H\n0.963412 0.697582 0.468742 H\n0.862694 0.653720 0.792971 H\n0.346278 0.208974 0.792970 H\n0.791023 0.137302 0.792973 H\n0.137306 0.346280 0.292971 H\n0.653722 0.791026 0.292970 H\n0.208977 0.862698 0.292973 H\n0.981738 0.656486 0.908585 H\n0.343509 0.325251 0.908584 H\n0.674746 0.018252 0.908584 H\n0.018262 0.343514 0.408585 H\n0.656491 0.674749 0.408584 H\n0.325254 0.981748 0.408584 H\n0.930048 0.790619 0.909438 H\n0.209376 0.139426 0.909438 H\n0.860577 0.069954 0.909438 H\n0.069951 0.209381 0.409438 H\n0.790624 0.860574 0.409438 H\n0.139423 0.930046 0.409438 H\n0.576742 0.212437 0.704536 H\n0.787541 0.364305 0.704491 H\n0.635671 0.423233 0.704525 H\n0.423258 0.787563 0.204536 H\n0.212459 0.635695 0.204491 H\n0.364329 0.576767 0.204525 H\n0.666607 0.333304 0.554415 H\n0.333393 0.666696 0.054415 H\n0.700577 0.476406 0.175484 C\n0.523584 0.224167 0.175483 C\n0.775826 0.299418 0.175480 C\n0.299423 0.523594 0.675484 C\n0.476416 0.775833 0.675483 C\n0.224174 0.700582 0.675480 C\n0.810876 0.596991 0.095578 C\n0.403003 0.213886 0.095579 C\n0.786105 0.189114 0.095581 C\n0.189124 0.403009 0.595578 C\n0.596997 0.786114 0.595579 C\n0.213895 0.810886 0.595581 C\n0.657407 0.619802 0.946240 C\n0.380199 0.037607 0.946243 C\n0.962388 0.342590 0.946243 C\n0.342593 0.380198 0.446240 C\n0.619801 0.962393 0.446243 C\n0.037612 0.657410 0.446243 C\n0.892737 0.676115 0.890053 C\n0.323884 0.216622 0.890057 C\n0.783375 0.107264 0.890057 C\n0.107263 0.323885 0.390053 C\n0.676116 0.783378 0.390057 C\n0.216625 0.892736 0.390057 C\n0.666660 0.333328 0.132127 N\n0.333340 0.666672 0.632127 N\n0.768926 0.581402 0.965875 N\n0.418594 0.187522 0.965877 N\n0.812470 0.231067 0.965873 N\n0.231074 0.418598 0.465875 N\n0.581406 0.812478 0.465877 N\n0.187530 0.768933 0.465873 N\n",
"nsites": 104,
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"formula_full": "Li2 B2 H68 C24 N8",
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{
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"structure_string": "Fe2 Co10 N8\n1.0\n6.838775 0.000000 0.000000\n0.000000 5.886793 0.000000\n0.000000 0.000000 4.527689\nFe Co N\n2 10 8\ndirect\n0.750000 0.250000 0.679253 Fe\n0.250000 0.750000 0.320747 Fe\n0.565193 0.524871 0.252531 Co\n0.934807 0.524871 0.252531 Co\n0.565193 0.975129 0.252531 Co\n0.934807 0.975129 0.252531 Co\n0.434807 0.475129 0.747469 Co\n0.065193 0.475129 0.747469 Co\n0.434807 0.024871 0.747469 Co\n0.065193 0.024871 0.747469 Co\n0.750000 0.750000 0.761082 Co\n0.250000 0.250000 0.238918 Co\n0.750000 0.026218 0.969260 N\n0.750000 0.473782 0.969260 N\n0.250000 0.973782 0.030740 N\n0.250000 0.526218 0.030740 N\n0.488420 0.750000 0.545460 N\n0.011580 0.750000 0.545460 N\n0.511580 0.250000 0.454540 N\n0.988420 0.250000 0.454540 N\n",
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