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18\ndirect\n0.500000 0.211547 0.248645 Rb\n0.000000 0.788453 0.748645 Rb\n0.000000 0.303010 0.465037 Ti\n0.000000 0.306030 0.043702 Ti\n0.500000 0.693970 0.543702 Ti\n0.500000 0.696990 0.965037 Ti\n0.000000 0.752945 0.122325 Ti\n0.500000 0.247055 0.622325 Ti\n0.000000 0.753681 0.368674 Nb\n0.500000 0.246319 0.868674 Nb\n0.000000 0.653412 0.991406 O\n0.000000 0.652161 0.510391 O\n0.500000 0.347839 0.010391 O\n0.500000 0.346588 0.491406 O\n0.000000 0.054346 0.413633 O\n0.000000 0.053725 0.089103 O\n0.500000 0.946275 0.589103 O\n0.500000 0.945654 0.913633 O\n0.000000 0.823937 0.247748 O\n0.500000 0.176063 0.747748 O\n0.000000 0.453781 0.355922 O\n0.000000 0.461162 0.145325 O\n0.500000 0.538838 0.645325 O\n0.500000 0.546219 0.855922 O\n0.000000 0.243622 0.900905 O\n0.000000 0.247143 0.597184 O\n0.500000 0.752857 0.097184 O\n0.500000 0.756378 0.400905 O\n","nsites":28,"nelements":4,"elements":["Rb","Ti","Nb","O"],"chemical_system":"Nb-O-Rb-Ti","density":4.112769916613933,"density_atomic":0.07441416287524578,"volume":376.27245833486796,"volume_molar":8.092734672156466,"formula_full":"Rb2 Ti6 Nb2 O18","formula_reduced":"RbTi3NbO9","formula_anonymous":"ABC3D9","energy":-250.15618132,"energy_per_atom":-8.934149332857142,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-237.79018132,"band_gap":2.3867000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001834,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.657000Z","spacegroup":31},{"id":"mp-1214111","created_at":"2022-09-04T14:39:47.232950Z","structure_string":"Ce8 In1 Pd24\n1.0\n8.502285 0.000000 0.000000\n0.000000 8.502285 0.000000\n0.000000 0.000000 8.502285\nCe In Pd\n8 1 24\ndirect\n0.249282 0.249282 0.249282 Ce\n0.750718 0.750718 0.750718 Ce\n0.750718 0.750718 0.249282 Ce\n0.750718 0.249282 0.750718 Ce\n0.249282 0.249282 0.750718 Ce\n0.249282 0.750718 0.249282 Ce\n0.249282 0.750718 0.750718 Ce\n0.750718 0.249282 0.249282 Ce\n0.000000 0.000000 0.000000 In\n0.266281 0.500000 0.000000 Pd\n0.733719 0.500000 0.000000 Pd\n0.000000 0.266281 0.500000 Pd\n0.500000 0.266281 0.000000 Pd\n0.000000 0.733719 0.500000 Pd\n0.500000 0.733719 0.000000 Pd\n0.500000 0.000000 0.266281 Pd\n0.266281 0.000000 0.500000 Pd\n0.500000 0.000000 0.733719 Pd\n0.733719 0.000000 0.500000 Pd\n0.000000 0.500000 0.266281 Pd\n0.000000 0.500000 0.733719 Pd\n0.255264 0.500000 0.500000 Pd\n0.744736 0.500000 0.500000 Pd\n0.500000 0.255264 0.500000 Pd\n0.500000 0.744736 0.500000 Pd\n0.500000 0.500000 0.255264 Pd\n0.500000 0.500000 0.744736 Pd\n0.313609 0.000000 0.000000 Pd\n0.686391 0.000000 0.000000 Pd\n0.000000 0.313609 0.000000 Pd\n0.000000 0.686391 0.000000 Pd\n0.000000 0.000000 0.313609 Pd\n0.000000 0.000000 0.686391 Pd\n","nsites":33,"nelements":3,"elements":["Ce","In","Pd"],"chemical_system":"Ce-In-Pd","density":10.239090759002218,"density_atomic":0.05369167640605053,"volume":614.620406903168,"volume_molar":11.21615334648289,"formula_full":"Ce8 In1 Pd24","formula_reduced":"Ce8InPd24","formula_anonymous":"AB8C24","energy":-200.52642266,"energy_per_atom":-6.076558262424243,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.52642266,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9968992,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.696000Z","spacegroup":221}]}