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{
"id": "mp-1227216",
"created_at": "2022-09-04T14:46:12.637222Z",
"structure_string": "Ca4 La8 Be4 O20\n1.0\n6.626693 0.000000 0.000000\n0.000000 7.294084 0.000000\n0.000000 0.000000 9.657283\nCa La Be O\n4 8 4 20\ndirect\n0.576678 0.978202 0.674494 Ca\n0.423322 0.478202 0.325506 Ca\n0.076678 0.478202 0.825506 Ca\n0.923322 0.978202 0.174494 Ca\n0.096759 0.745817 0.523689 La\n0.403241 0.745817 0.023689 La\n0.903241 0.245817 0.476311 La\n0.596759 0.245817 0.976311 La\n0.926282 0.527469 0.172395 La\n0.073718 0.027469 0.827605 La\n0.426282 0.027469 0.327605 La\n0.573718 0.527469 0.672395 La\n0.694053 0.748986 0.395359 Be\n0.805947 0.748986 0.895359 Be\n0.305947 0.248986 0.604641 Be\n0.194053 0.248986 0.104641 Be\n0.016768 0.749880 0.985695 O\n0.483232 0.749880 0.485695 O\n0.983232 0.249880 0.014305 O\n0.516768 0.249880 0.514305 O\n0.641266 0.750408 0.224540 O\n0.858734 0.750408 0.724540 O\n0.358734 0.250408 0.775460 O\n0.141266 0.250408 0.275460 O\n0.162020 0.748991 0.272902 O\n0.337980 0.748991 0.772902 O\n0.837980 0.248991 0.727098 O\n0.662020 0.248991 0.227098 O\n0.311020 0.058544 0.071609 O\n0.192038 0.441703 0.573152 O\n0.688980 0.558544 0.928391 O\n0.807962 0.941703 0.426848 O\n0.692038 0.941703 0.926848 O\n0.811020 0.558544 0.428391 O\n0.307962 0.441703 0.073152 O\n0.188980 0.058544 0.571609 O\n",
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},
{
"id": "mp-504578",
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"structure_string": "Mg4 Cr4 O16\n1.0\n4.638383 5.032554 0.000000\n-4.638383 5.032554 0.000000\n0.000000 1.629787 6.644552\nMg Cr O\n4 4 16\ndirect\n0.818105 0.181895 0.500000 Mg\n0.181895 0.818105 0.500000 Mg\n0.203299 0.203299 0.133940 Mg\n0.796701 0.796701 0.866060 Mg\n0.743845 0.256155 0.000000 Cr\n0.256155 0.743845 0.000000 Cr\n0.725527 0.725527 0.411754 Cr\n0.274473 0.274473 0.588246 Cr\n0.142325 0.142325 0.460453 O\n0.857675 0.857675 0.539547 O\n0.788139 0.788139 0.167558 O\n0.211861 0.211861 0.832442 O\n0.512214 0.221477 0.102874 O\n0.778523 0.487786 0.897126 O\n0.487786 0.778523 0.897126 O\n0.221477 0.512214 0.102874 O\n0.201205 0.887645 0.183700 O\n0.112355 0.798795 0.816300 O\n0.798795 0.112355 0.816300 O\n0.887645 0.201205 0.183700 O\n0.488905 0.783765 0.476568 O\n0.216235 0.511095 0.523432 O\n0.511095 0.216235 0.523432 O\n0.783765 0.488905 0.476568 O\n",
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"density": 3.0040834006178514,
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"volume": 310.20639745924234,
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"formula_full": "Mg4 Cr4 O16",
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"spacegroup": 12
},
{
"id": "mp-27456",
"created_at": "2022-09-04T14:46:14.892784Z",
"structure_string": "Ba4 Br8\n1.0\n5.070394 0.000000 0.000000\n0.000000 8.408842 0.000000\n0.000000 0.000000 10.093837\nBa Br\n4 8\ndirect\n0.250000 0.246068 0.887484 Ba\n0.750000 0.753932 0.112516 Ba\n0.250000 0.746068 0.612516 Ba\n0.750000 0.253932 0.387484 Ba\n0.250000 0.022704 0.165366 Br\n0.750000 0.977296 0.834634 Br\n0.250000 0.522704 0.334634 Br\n0.750000 0.477296 0.665366 Br\n0.750000 0.358380 0.073946 Br\n0.250000 0.641620 0.926054 Br\n0.750000 0.858380 0.426054 Br\n0.250000 0.141620 0.573946 Br\n",
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"elements": [
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"formula_full": "Ba4 Br8",
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"updated_at": "2021-11-28T01:37:32.195000Z",
"spacegroup": 62
},
{
"id": "mp-1177072",
"created_at": "2022-09-04T14:46:13.104017Z",
"structure_string": "Li40 Sb8 S8\n1.0\n8.028121 0.000000 0.000000\n0.000000 11.442582 0.000000\n0.000000 10.554859 11.865825\nLi Sb S\n40 8 8\ndirect\n0.260293 0.425422 0.086841 Li\n0.747281 0.977674 0.512137 Li\n0.749206 0.266918 0.125812 Li\n0.095636 0.016941 0.322224 Li\n0.075081 0.734496 0.710397 Li\n0.430631 0.733249 0.710059 Li\n0.410459 0.013501 0.324154 Li\n0.081697 0.287827 0.983668 Li\n0.427687 0.283411 0.983201 Li\n0.754269 0.532996 0.740366 Li\n0.910459 0.986499 0.175846 Li\n0.254269 0.467004 0.759634 Li\n0.927687 0.716589 0.516799 Li\n0.581697 0.712173 0.516332 Li\n0.595636 0.983059 0.177776 Li\n0.249206 0.733082 0.374188 Li\n0.930631 0.266751 0.789941 Li\n0.575081 0.265504 0.789603 Li\n0.760293 0.574578 0.413159 Li\n0.247281 0.022326 0.987863 Li\n0.752719 0.977674 0.012137 Li\n0.239707 0.425422 0.586841 Li\n0.424919 0.734496 0.210397 Li\n0.069369 0.733249 0.210059 Li\n0.750794 0.266918 0.625812 Li\n0.404364 0.016941 0.822224 Li\n0.418303 0.287827 0.483668 Li\n0.072313 0.283411 0.483201 Li\n0.745731 0.532996 0.240366 Li\n0.089541 0.013501 0.824154 Li\n0.245731 0.467004 0.259634 Li\n0.572313 0.716589 0.016799 Li\n0.918303 0.712173 0.016332 Li\n0.589541 0.986499 0.675846 Li\n0.569369 0.266751 0.289941 Li\n0.924919 0.265504 0.289603 Li\n0.904364 0.983059 0.677776 Li\n0.250794 0.733082 0.874188 Li\n0.252719 0.022326 0.487863 Li\n0.739707 0.574578 0.913159 Li\n0.753451 0.989009 0.337856 Sb\n0.754854 0.262612 0.956858 Sb\n0.253451 0.010991 0.162144 Sb\n0.254854 0.737388 0.543142 Sb\n0.745146 0.262612 0.456858 Sb\n0.746549 0.989009 0.837856 Sb\n0.245146 0.737388 0.043142 Sb\n0.246549 0.010991 0.662144 Sb\n0.249924 0.234774 0.291094 S\n0.258466 0.514381 0.888607 S\n0.758466 0.485619 0.611393 S\n0.749924 0.765226 0.208906 S\n0.250076 0.234774 0.791094 S\n0.241534 0.514381 0.388607 S\n0.741534 0.485619 0.111393 S\n0.750076 0.765226 0.708906 S\n",
"nsites": 56,
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"elements": [
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"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.2976489238519116,
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"volume": 1090.023552253627,
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"formula_full": "Li40 Sb8 S8",
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{
"id": "mp-1245353",
"created_at": "2022-09-04T14:46:12.650357Z",
"structure_string": "K56 V8 N32\n1.0\n12.838188 0.000000 0.000000\n0.000000 12.838188 0.000000\n0.000000 0.000000 12.838188\nK V N\n56 8 32\ndirect\n0.375137 0.624863 0.124863 K\n0.624863 0.124863 0.375137 K\n0.124863 0.375137 0.624863 K\n0.875137 0.875137 0.875137 K\n0.624863 0.375137 0.875137 K\n0.375137 0.875137 0.624863 K\n0.875137 0.624863 0.375137 K\n0.124863 0.124863 0.124863 K\n0.356851 0.584711 0.372633 K\n0.643149 0.084711 0.127367 K\n0.143149 0.415289 0.872633 K\n0.856851 0.915289 0.627367 K\n0.372633 0.356851 0.584711 K\n0.127367 0.643149 0.084711 K\n0.872633 0.143149 0.415289 K\n0.627367 0.856851 0.915289 K\n0.584711 0.372633 0.356851 K\n0.084711 0.127367 0.643149 K\n0.415289 0.872633 0.143149 K\n0.915289 0.627367 0.856851 K\n0.643149 0.415289 0.627367 K\n0.356851 0.915289 0.872633 K\n0.856851 0.584711 0.127367 K\n0.143149 0.084711 0.372633 K\n0.627367 0.643149 0.415289 K\n0.872633 0.356851 0.915289 K\n0.127367 0.856851 0.584711 K\n0.372633 0.143149 0.084711 K\n0.415289 0.627367 0.643149 K\n0.915289 0.872633 0.356851 K\n0.584711 0.127367 0.856851 K\n0.084711 0.372633 0.143149 K\n0.420981 0.825050 0.376262 K\n0.579019 0.325050 0.123738 K\n0.079019 0.174950 0.876262 K\n0.920981 0.674950 0.623738 K\n0.376262 0.420981 0.825050 K\n0.123738 0.579019 0.325050 K\n0.876262 0.079019 0.174950 K\n0.623738 0.920981 0.674950 K\n0.825050 0.376262 0.420981 K\n0.325050 0.123738 0.579019 K\n0.174950 0.876262 0.079019 K\n0.674950 0.623738 0.920981 K\n0.579019 0.174950 0.623738 K\n0.420981 0.674950 0.876262 K\n0.920981 0.825050 0.123738 K\n0.079019 0.325050 0.376262 K\n0.623738 0.579019 0.174950 K\n0.876262 0.420981 0.674950 K\n0.123738 0.920981 0.825050 K\n0.376262 0.079019 0.325050 K\n0.174950 0.623738 0.579019 K\n0.674950 0.876262 0.420981 K\n0.825050 0.123738 0.920981 K\n0.325050 0.376262 0.079019 K\n0.162477 0.837523 0.337523 V\n0.837523 0.337523 0.162477 V\n0.337523 0.162477 0.837523 V\n0.662477 0.662477 0.662477 V\n0.837523 0.162477 0.662477 V\n0.162477 0.662477 0.837523 V\n0.662477 0.837523 0.162477 V\n0.337523 0.337523 0.337523 V\n0.246181 0.753819 0.253819 N\n0.753819 0.253819 0.246181 N\n0.253819 0.246181 0.753819 N\n0.746181 0.746181 0.746181 N\n0.753819 0.246181 0.746181 N\n0.246181 0.746181 0.753819 N\n0.746181 0.753819 0.246181 N\n0.253819 0.253819 0.253819 N\n0.082833 0.930993 0.254698 N\n0.917167 0.430993 0.245302 N\n0.417167 0.069007 0.754698 N\n0.582833 0.569007 0.745302 N\n0.254698 0.082833 0.930993 N\n0.245302 0.917167 0.430993 N\n0.754698 0.417167 0.069007 N\n0.745302 0.582833 0.569007 N\n0.930993 0.254698 0.082833 N\n0.430993 0.245302 0.917167 N\n0.069007 0.754698 0.417167 N\n0.569007 0.745302 0.582833 N\n0.917167 0.069007 0.745302 N\n0.082833 0.569007 0.754698 N\n0.582833 0.930993 0.245302 N\n0.417167 0.430993 0.254698 N\n0.745302 0.917167 0.069007 N\n0.754698 0.082833 0.569007 N\n0.245302 0.582833 0.930993 N\n0.254698 0.417167 0.430993 N\n0.069007 0.745302 0.917167 N\n0.569007 0.754698 0.082833 N\n0.930993 0.245302 0.582833 N\n0.430993 0.254698 0.417167 N\n",
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{
"id": "mp-1224730",
"created_at": "2022-09-04T14:46:05.799965Z",
"structure_string": "Gd4 Cr2 Sb2 O14\n1.0\n-3.663593 3.692303 5.176640\n3.663593 -3.692303 5.176640\n3.663593 3.692303 -5.176640\nGd Cr Sb O\n4 2 2 14\ndirect\n0.500000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Gd\n0.500000 0.000000 0.500000 Gd\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.912457 0.162457 0.750000 O\n0.330285 0.580285 0.750000 O\n0.914082 0.577897 0.742741 O\n0.335156 0.171341 0.757259 O\n0.914082 0.171341 0.336185 O\n0.335156 0.577897 0.163815 O\n0.087543 0.837543 0.250000 O\n0.669715 0.419715 0.250000 O\n0.085918 0.422103 0.257259 O\n0.664844 0.828659 0.242741 O\n0.085918 0.828659 0.663815 O\n0.664844 0.422103 0.836185 O\n0.622440 0.872440 0.750000 O\n0.377560 0.127560 0.250000 O\n",
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{
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}