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N\n0.194243 0.483784 0.731367 N\n0.277525 0.743543 0.795498 N\n0.659749 0.337574 0.882600 N\n0.222475 0.743543 0.295498 N\n0.611075 0.364216 0.282564 N\n","nsites":200,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.0658638958930593,"density_atomic":0.09953228959702344,"volume":2009.3981642514239,"volume_molar":6.050439294003836,"formula_full":"H104 C80 N16","formula_reduced":"H13(C5N)2","formula_anonymous":"A2B10C13","energy":-1239.96469649,"energy_per_atom":-6.19982348245,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1234.18869649,"band_gap":3.0363,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0016109,"is_theoretical":false,"updated_at":"2021-11-28T01:36:22.111000Z","spacegroup":14}]}