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0.499937 Mn\n0.500060 0.499991 0.000196 Mn\n0.249781 0.750730 0.250482 Mn\n0.750352 0.249432 0.749592 Mn\n0.508366 0.266212 0.019889 O\n0.008960 0.766962 0.521722 O\n0.991031 0.233046 0.478165 O\n0.491619 0.733760 0.980125 O\n0.255250 0.519200 0.273560 O\n0.754492 0.018556 0.774204 O\n0.245545 0.981406 0.225890 O\n0.744647 0.480892 0.726464 O\n0.529133 0.265976 0.489918 O\n0.029313 0.765802 0.990395 O\n0.970704 0.234191 0.009576 O\n0.470890 0.734061 0.510064 O\n0.791242 0.988288 0.238040 O\n0.290937 0.488536 0.738615 O\n0.709161 0.511483 0.261320 O\n0.208689 0.011717 0.761919 O\n","nsites":30,"nelements":4,"elements":["Li","Ti","Mn","O"],"chemical_system":"Li-Mn-O-Ti","density":3.8724683262198085,"density_atomic":0.09676594297412623,"volume":310.02643159299913,"volume_molar":6.22340936791184,"formula_full":"Li6 Ti2 Mn6 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0.300152 O\n0.697456 0.382634 0.933267 O\n0.768808 0.371758 0.634717 O\n0.663482 0.640865 0.346309 O\n0.298786 0.192475 0.138368 O\n0.315929 0.379832 0.641437 O\n0.741600 0.800692 0.839468 O\n0.147154 0.950288 0.730175 O\n0.865097 0.008151 0.243377 O\n","nsites":19,"nelements":5,"elements":["Mg","Mn","P","H","O"],"chemical_system":"H-Mg-Mn-O-P","density":2.9280365321866038,"density_atomic":0.09302341970544233,"volume":204.24964014614062,"volume_molar":6.47378991126003,"formula_full":"Mg1 Mn2 P2 H4 O10","formula_reduced":"MgMn2P2(H2O5)2","formula_anonymous":"AB2C2D4E10","energy":-135.6388081,"energy_per_atom":-7.138884636842105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.43280810000002,"band_gap":3.3709,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":9.9993238,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.413000Z","spacegroup":1}]}