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{
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"structure_string": "Sm1 Co1 O3\n1.0\n3.760178 0.000000 0.000000\n0.000000 3.760178 0.000000\n0.000000 -0.000000 3.760178\nSm Co O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n0.000000 0.000000 0.500000 O\n",
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"structure_string": "Li4 Mn2 F8\n1.0\n4.571041 2.682332 0.101605\n-4.571041 2.682332 -0.101605\n0.020020 0.000000 6.071104\nLi Mn F\n4 2 8\ndirect\n0.318669 0.635709 0.173137 Li\n0.017055 0.017055 0.500000 Li\n0.025075 0.025075 0.000000 Li\n0.635709 0.318669 0.826862 Li\n0.394516 0.707924 0.683103 Mn\n0.707924 0.394516 0.316896 Mn\n0.352514 0.902791 0.959542 F\n0.149266 0.706574 0.427601 F\n0.263208 0.280179 0.735758 F\n0.787671 0.730007 0.753729 F\n0.730007 0.787671 0.246271 F\n0.280179 0.263208 0.264241 F\n0.706574 0.149266 0.572398 F\n0.902791 0.352514 0.040458 F\n",
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"structure_string": "Pr4 Cr4 B16\n1.0\n3.595542 0.000000 0.000000\n0.000000 6.057029 0.000000\n0.000000 -0.000000 11.718586\nPr Cr B\n4 4 16\ndirect\n0.000000 0.121451 0.848596 Pr\n0.000000 0.878549 0.151404 Pr\n0.000000 0.378549 0.348596 Pr\n0.000000 0.621451 0.651404 Pr\n0.000000 0.117672 0.576983 Cr\n0.000000 0.882328 0.423017 Cr\n0.000000 0.382328 0.076983 Cr\n0.000000 0.617672 0.923017 Cr\n0.500000 0.524383 0.187644 B\n0.500000 0.475617 0.812356 B\n0.500000 0.888764 0.545320 B\n0.500000 0.111236 0.454680 B\n0.500000 0.611237 0.045320 B\n0.500000 0.388764 0.954681 B\n0.500000 0.856814 0.966925 B\n0.500000 0.772996 0.819227 B\n0.500000 0.643186 0.466924 B\n0.500000 0.356814 0.533076 B\n0.500000 0.024383 0.312356 B\n0.500000 0.227004 0.180773 B\n0.500000 0.727005 0.319227 B\n0.500000 0.272996 0.680773 B\n0.500000 0.143186 0.033076 B\n0.500000 0.975617 0.687644 B\n",
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"created_at": "2022-09-04T14:38:26.534336Z",
"updated_at": "2022-09-04T14:38:26.534371Z",
"structure_string": "Na2 Mn4 O8\n1.0\n5.951856 -0.001168 0.000950\n-2.975589 4.203129 2.975921\n-0.001006 -0.000119 5.952607\nNa Mn O\n2 4 8\ndirect\n0.000027 0.000043 -0.000019 Na\n0.749977 0.499961 0.750017 Na\n0.374998 0.249999 0.375003 Mn\n0.875001 0.249996 0.375002 Mn\n0.375002 0.750001 0.374998 Mn\n0.375001 0.750002 0.875001 Mn\n0.144512 0.289026 0.145018 O\n0.605484 0.210971 0.184042 O\n0.565965 0.710969 0.144517 O\n0.144998 0.710966 0.144516 O\n0.605486 0.210970 0.604986 O\n0.144515 0.289026 0.565956 O\n0.605001 0.789037 0.605483 O\n0.184032 0.789030 0.605484 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.39102620757368,
"density_atomic": 0.09402641102668916,
"volume": 148.8943356141301,
"volume_molar": 6.40473319596409,
"formula_full": "Na2 Mn4 O8",
"formula_reduced": "NaMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.569856783251231,
"spacegroup": 227
}
]
}