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Si\n0.214091 0.054730 0.027020 Si\n0.785909 0.945270 0.027020 Si\n0.624903 0.881316 0.010060 Si\n0.375097 0.118684 0.010060 Si\n0.118684 0.624903 0.989940 Si\n0.881316 0.375097 0.989940 Si\n0.271769 0.219710 0.983239 Si\n0.728231 0.780290 0.983239 Si\n0.780290 0.271769 0.016761 Si\n0.219710 0.728231 0.016761 Si\n0.268782 0.873720 0.974405 Si\n0.731218 0.126280 0.974405 Si\n0.126280 0.268782 0.025595 Si\n0.873720 0.731218 0.025595 Si\n0.383187 0.769372 0.010548 Si\n0.616813 0.230628 0.010548 Si\n0.230628 0.383187 0.989452 Si\n0.769372 0.616813 0.989452 Si\n0.605349 0.540841 0.977584 Si\n0.394651 0.459159 0.977584 Si\n0.459159 0.605349 0.022416 Si\n0.540841 0.394651 0.022416 Si\n0.711756 0.436713 0.991129 Si\n0.288244 0.563287 0.991129 Si\n0.563287 0.711756 0.008871 Si\n0.436713 0.288244 0.008871 Si\n0.000000 0.500000 0.170939 O\n0.500000 0.000000 0.829061 O\n0.950308 0.545854 0.709358 O\n0.049692 0.454146 0.709358 O\n0.454146 0.950308 0.290642 O\n0.545854 0.049692 0.290642 O\n0.966964 0.614196 0.196778 O\n0.033036 0.385804 0.196778 O\n0.385804 0.966964 0.803222 O\n0.614196 0.033036 0.803222 O\n0.883766 0.523596 0.197238 O\n0.116234 0.476404 0.197238 O\n0.476404 0.883766 0.802762 O\n0.523596 0.116234 0.802762 O\n0.999345 0.835194 0.150136 O\n0.000655 0.164806 0.150136 O\n0.164806 0.999345 0.849864 O\n0.835194 0.000655 0.849864 O\n0.677837 0.828504 0.181622 O\n0.322163 0.171496 0.181622 O\n0.171496 0.677837 0.818378 O\n0.828504 0.322163 0.818378 O\n0.335088 0.836369 0.132130 O\n0.664912 0.163631 0.132130 O\n0.163631 0.335088 0.867870 O\n0.836369 0.664912 0.867870 O\n0.658940 0.491455 0.153626 O\n0.341060 0.508545 0.153626 O\n0.508545 0.658940 0.846374 O\n0.491455 0.341060 0.846374 O\n","nsites":120,"nelements":4,"elements":["Ca","Co","Si","O"],"chemical_system":"Ca-Co-O-Si","density":3.0370549817015027,"density_atomic":0.05494198967958995,"volume":2184.1218474215184,"volume_molar":10.960907668469687,"formula_full":"Ca36 Co18 Si36 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Pd\n0.254135 0.500000 0.500000 Pd\n0.500000 0.500000 0.254135 Pd\n0.500000 0.745865 0.500000 Pd\n0.745865 0.500000 0.500000 Pd\n0.000000 0.000000 0.707206 Pd\n0.000000 0.292794 0.000000 Pd\n0.292794 0.000000 0.000000 Pd\n0.000000 0.000000 0.292794 Pd\n0.000000 0.707206 0.000000 Pd\n0.707206 0.000000 0.000000 Pd\n0.000000 0.500000 0.740024 Pd\n0.500000 0.259976 0.000000 Pd\n0.259976 0.000000 0.500000 Pd\n0.000000 0.259976 0.500000 Pd\n0.500000 0.000000 0.740024 Pd\n0.259976 0.500000 0.000000 Pd\n0.000000 0.500000 0.259976 Pd\n0.500000 0.740024 0.000000 Pd\n0.000000 0.740024 0.500000 Pd\n0.500000 0.000000 0.259976 Pd\n0.740024 0.000000 0.500000 Pd\n0.740024 0.500000 0.000000 Pd\n","nsites":33,"nelements":3,"elements":["Ce","Ga","Pd"],"chemical_system":"Ce-Ga-Pd","density":10.29541231689827,"density_atomic":0.054637140339555225,"volume":603.9847582599276,"volume_molar":11.022064336775323,"formula_full":"Ce8 Ga1 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In\n","nsites":4,"nelements":3,"elements":["Ba","Tl","In"],"chemical_system":"Ba-In-Tl","density":0.5240515902515852,"density_atomic":0.0021257113933899428,"volume":1881.7229904484198,"volume_molar":283.300017995213,"formula_full":"Ba2 Tl1 In1","formula_reduced":"Ba2TlIn","formula_anonymous":"ABC2","energy":-4.52128618,"energy_per_atom":-1.130321545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.52128618,"band_gap":0.6467000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.58e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:39:40.234000Z","spacegroup":71}]}