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0.204600 0.795400 Cd\n0.045400 0.045400 0.454600 Cd\n0.454600 0.454600 0.045400 Cd\n0.204600 0.204600 0.795400 Cd\n0.795400 0.795400 0.204600 Cd\n0.454600 0.045400 0.045400 Cd\n0.045400 0.454600 0.454600 Cd\n0.795400 0.204600 0.204600 Cd\n0.204600 0.795400 0.795400 Cd\n0.125000 0.625000 0.625000 Cd\n0.625000 0.125000 0.625000 Cd\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625000 Cd\n0.442688 0.852437 0.852437 B\n0.852437 0.442688 0.852437 B\n0.852437 0.852437 0.442688 B\n0.852437 0.852437 0.852437 B\n0.807312 0.397563 0.397563 B\n0.397563 0.807312 0.397563 B\n0.397563 0.397563 0.807312 B\n0.397563 0.397563 0.397563 B\n0.994879 0.717456 0.847425 O\n0.717456 0.994879 0.440241 O\n0.847425 0.440241 0.994879 O\n0.440241 0.847425 0.717456 O\n0.255121 0.532544 0.402575 O\n0.532544 0.255121 0.809759 O\n0.402575 0.809759 0.255121 O\n0.809759 0.402575 0.532544 O\n0.847425 0.994879 0.717456 O\n0.440241 0.717456 0.994879 O\n0.994879 0.847425 0.440241 O\n0.717456 0.440241 0.847425 O\n0.402575 0.255121 0.532544 O\n0.809759 0.532544 0.255121 O\n0.255121 0.402575 0.809759 O\n0.532544 0.809759 0.402575 O\n0.717456 0.847425 0.994879 O\n0.994879 0.440241 0.717456 O\n0.440241 0.994879 0.847425 O\n0.847425 0.717456 0.440241 O\n0.532544 0.402575 0.255121 O\n0.255121 0.809759 0.532544 O\n0.809759 0.255121 0.402575 O\n0.402575 0.532544 0.809759 O\n0.532015 0.155995 0.155995 O\n0.155995 0.532015 0.155995 O\n0.155995 0.155995 0.532015 O\n0.155995 0.155995 0.155995 O\n0.717985 0.094005 0.094005 O\n0.094005 0.717985 0.094005 O\n0.094005 0.094005 0.717985 O\n0.094005 0.094005 0.094005 O\n","nsites":56,"nelements":3,"elements":["Cd","B","O"],"chemical_system":"B-Cd-O","density":5.6258288570818955,"density_atomic":0.07914970399053901,"volume":707.520018100053,"volume_molar":7.608544891993334,"formula_full":"Cd16 B8 O32","formula_reduced":"Cd2BO4","formula_anonymous":"AB2C4","energy":-323.54568539,"energy_per_atom":-5.777601524821429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.66568539,"band_gap":1.2871,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0008768,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.134000Z","spacegroup":203}]}