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O28","formula_reduced":"LiFeP2O7","formula_anonymous":"ABC2D7","energy":-327.03323056,"energy_per_atom":-7.432573421818182,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-298.77323056,"band_gap":1.137,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":20.0005124,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.213000Z","spacegroup":15},{"id":"mp-1226754","created_at":"2022-09-04T14:40:09.677831Z","structure_string":"Cd2 As2 P2\n1.0\n-2.320982 3.932303 4.061461\n2.320982 -3.932303 4.061461\n2.320982 3.932303 -4.061461\nCd As P\n2 2 2\ndirect\n0.250000 0.389410 0.139410 Cd\n0.750000 0.110590 0.360590 Cd\n0.935653 0.750000 0.685653 As\n0.564347 0.250000 0.814347 As\n0.573703 0.823703 0.750000 P\n0.926297 0.676297 0.250000 P\n","nsites":6,"nelements":3,"elements":["Cd","As","P"],"chemical_system":"As-Cd-P","density":4.889725280736119,"density_atomic":0.04046599511630295,"volume":148.2726418256972,"volume_molar":14.881978665523535,"formula_full":"Cd2 As2 P2","formula_reduced":"CdAsP","formula_anonymous":"ABC","energy":-22.39461936,"energy_per_atom":-3.73243656,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.39461936,"band_gap":0.4182000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.5e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.826000Z","spacegroup":24}]}