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0.000000\n0.000000 0.000000 4.081002\nH Pd\n2 6\ndirect\n0.333333 0.666667 0.750000 H\n0.666667 0.333333 0.250000 H\n0.174441 0.348881 0.250000 Pd\n0.651119 0.825559 0.250000 Pd\n0.174441 0.825559 0.250000 Pd\n0.825559 0.651119 0.750000 Pd\n0.348881 0.174441 0.750000 Pd\n0.825559 0.174441 0.750000 Pd\n","nsites":8,"nelements":2,"elements":["H","Pd"],"chemical_system":"H-Pd","density":9.767772045341474,"density_atomic":0.07346710780850234,"volume":108.89226809979529,"volume_molar":8.197057077157812,"formula_full":"H2 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F\n0.404571 0.777744 0.019126 F\n0.899402 0.670581 0.865023 F\n0.100598 0.670581 0.365023 F\n0.899402 0.329419 0.634977 F\n0.100598 0.329419 0.134977 F\n0.595429 0.222256 0.980874 F\n0.404571 0.222256 0.480874 F\n0.102646 0.163341 0.894827 F\n0.897354 0.163341 0.394827 F\n","nsites":20,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":2.9474924363334964,"density_atomic":0.07105602175799322,"volume":281.46805161872385,"volume_molar":8.475201131454504,"formula_full":"Li2 Mn4 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0.926504 Li\n0.190291 0.982832 0.572640 Li\n0.072840 0.478015 0.202257 Li\n0.414767 0.248951 0.808986 Li\n0.494751 0.989929 0.997238 Li\n0.576484 0.014635 0.696308 Li\n0.435453 0.980298 0.298286 Li\n0.597513 0.756082 0.193884 Li\n0.806599 0.012133 0.435501 Li\n0.932502 0.511385 0.804652 Li\n0.700944 0.511149 0.063724 Li\n0.912609 0.255641 0.307628 Li\n0.343667 0.209312 0.449294 Mn\n0.839437 0.279248 0.948753 Mn\n0.163513 0.707152 0.051407 Mn\n0.669142 0.781950 0.551708 Mn\n0.123878 0.318592 0.859185 O\n0.150326 0.688072 0.876936 O\n0.135981 0.055319 0.383691 O\n0.154310 0.410228 0.390986 O\n0.363941 0.188093 0.624302 O\n0.382192 0.819267 0.639685 O\n0.629948 0.455246 0.880731 O\n0.347976 0.905997 0.114140 O\n0.368281 0.550900 0.115268 O\n0.637596 0.083413 0.884426 O\n0.603038 0.182918 0.357384 O\n0.641676 0.818188 0.364405 O\n0.867337 0.587776 0.621870 O\n0.876283 0.959381 0.618672 O\n0.868236 0.317487 0.136323 O\n0.901314 0.681845 0.141730 O\n","nsites":42,"nelements":4,"elements":["K","Li","Mn","O"],"chemical_system":"K-Li-Mn-O","density":2.6552822181485496,"density_atomic":0.07582680796570715,"volume":553.8938157464653,"volume_molar":7.941967915520758,"formula_full":"K8 Li14 Mn4 O16","formula_reduced":"K4Li7Mn2O8","formula_anonymous":"A2B4C7D8","energy":-228.68342919000008,"energy_per_atom":-5.444843552142859,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-211.01942919,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.764000Z","spacegroup":1}]}