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O28","formula_reduced":"Na2LiMnPCO7","formula_anonymous":"ABCDE2F7","energy":-375.3467829,"energy_per_atom":-7.218207363461539,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-349.4387829,"band_gap":3.3549,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.499000Z","spacegroup":7},{"id":"mp-1188759","created_at":"2022-09-04T14:40:28.869857Z","structure_string":"Tm4 Ga12 Pd1\n1.0\n-4.302581 4.302581 4.302581\n4.302581 -4.302581 4.302581\n4.302581 4.302581 -4.302581\nTm Ga Pd\n4 12 1\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.500000 0.750000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.750000 0.250000 Ga\n0.704027 0.704027 0.000000 Ga\n0.295973 0.000000 0.295973 Ga\n0.000000 0.295973 0.295973 Ga\n0.295973 0.295973 0.000000 Ga\n0.704027 0.000000 0.704027 Ga\n0.000000 0.704027 0.704027 Ga\n0.000000 0.000000 0.000000 Pd\n","nsites":17,"nelements":3,"elements":["Tm","Ga","Pd"],"chemical_system":"Ga-Pd-Tm","density":8.43730885150455,"density_atomic":0.05335827301770874,"volume":318.60101608532153,"volume_molar":11.286236265557827,"formula_full":"Tm4 Ga12 Pd1","formula_reduced":"Tm4Ga12Pd","formula_anonymous":"AB4C12","energy":-69.27980572,"energy_per_atom":-4.075282689411765,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-69.27980572,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0138494,"is_theoretical":false,"updated_at":"2021-11-28T01:34:57.496000Z","spacegroup":229}]}