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"structure_string": "Sn2 Se4 O12\n1.0\n4.814834 -0.058101 0.000000\n-2.387671 6.565158 0.000000\n0.000000 0.000000 8.623289\nSn Se O\n2 4 12\ndirect\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.808285 0.681554 0.848996 Se\n0.308285 0.181553 0.651004 Se\n0.191715 0.318447 0.151004 Se\n0.691715 0.818447 0.348996 Se\n0.357120 0.764299 0.442966 O\n0.579691 0.800413 0.156333 O\n0.420309 0.199588 0.843668 O\n0.762635 0.918562 0.841577 O\n0.642880 0.235701 0.557034 O\n0.237365 0.081439 0.158423 O\n0.262635 0.418561 0.658423 O\n0.920309 0.699588 0.656333 O\n0.079691 0.300412 0.343667 O\n0.142880 0.735702 0.942967 O\n0.857119 0.264299 0.057034 O\n0.737364 0.581439 0.341577 O\n",
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"created_at": "2022-09-04T14:38:29.554751Z",
"updated_at": "2022-09-04T14:38:29.554766Z",
"structure_string": "Mg2 Cu4 O8\n1.0\n5.417683 0.003648 0.002254\n-0.003630 5.417613 -0.004903\n-2.708999 -2.706343 4.710099\nMg Cu O\n2 4 8\ndirect\n0.124965 0.374977 0.249947 Mg\n0.874985 0.624971 0.749954 Mg\n0.499997 0.000004 0.500008 Cu\n0.000006 0.000007 0.500013 Cu\n0.500011 0.000004 0.000010 Cu\n0.500001 0.500008 0.000011 Cu\n0.277486 0.986036 0.154026 O\n0.513958 0.623464 0.345986 O\n0.832018 0.222537 0.346000 O\n0.123463 0.332018 0.845992 O\n0.167994 0.777476 0.654017 O\n0.486043 0.376542 0.654032 O\n0.876535 0.667989 0.154016 O\n0.722534 0.013968 0.845990 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 5.175875406371602,
"density_atomic": 0.10129731750431317,
"volume": 138.20701618681946,
"volume_molar": 5.94501503926161,
"formula_full": "Mg2 Cu4 O8",
"formula_reduced": "Mg(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1100934214285714,
"spacegroup": 88
}
]
}