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0.068993 0.779598 Cd\n0.272150 0.511484 0.365696 H\n0.227850 0.488516 0.865696 H\n0.727850 0.011484 0.134304 H\n0.772150 0.988516 0.634304 H\n0.702610 0.482087 0.101887 H\n0.797390 0.517913 0.601887 H\n0.297390 0.982087 0.398113 H\n0.202610 0.017913 0.898113 H\n0.278926 0.282514 0.611323 Br\n0.221074 0.717486 0.111323 Br\n0.721074 0.782514 0.888677 Br\n0.778926 0.217486 0.388677 Br\n0.186262 0.161173 0.119505 Br\n0.313738 0.838827 0.619505 Br\n0.813738 0.661173 0.380495 Br\n0.686262 0.338827 0.880495 Br\n0.568873 0.223435 0.297574 O\n0.931127 0.776565 0.797574 O\n0.431127 0.723435 0.202426 O\n0.068873 0.276565 0.702426 O\n0.267963 0.002696 0.173972 O\n0.232037 0.997304 0.673972 O\n0.732037 0.502696 0.326028 O\n0.767963 0.497304 0.826028 O\n0.410119 0.245779 0.076331 O\n0.089881 0.754221 0.576331 O\n0.589881 0.745779 0.423669 O\n0.910119 0.254221 0.923669 O\n0.106621 0.266522 0.219349 O\n0.393379 0.733478 0.719349 O\n0.893379 0.766522 0.280651 O\n0.606621 0.233478 0.780651 O\n0.178555 0.537182 0.120785 O\n0.321445 0.462818 0.620785 O\n0.821445 0.037182 0.379215 O\n0.678555 0.962818 0.879215 O\n0.174050 0.254921 0.492558 O\n0.325950 0.745079 0.992558 O\n0.825950 0.754921 0.007442 O\n0.674050 0.245079 0.507442 O\n","nsites":44,"nelements":4,"elements":["Cd","H","Br","O"],"chemical_system":"Br-Cd-H-O","density":3.363204146867879,"density_atomic":0.0601760544448288,"volume":731.1878521437545,"volume_molar":10.007536744572176,"formula_full":"Cd4 H8 Br8 O24","formula_reduced":"CdH2(BrO3)2","formula_anonymous":"AB2C2D6","energy":-164.46792004,"energy_per_atom":-3.7379072736363637,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-147.97992004,"band_gap":1.9558,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:38:50.224000Z","spacegroup":19}]}