--- materials: - id: 1 name: C45H30N6 description: c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1 homo: -6.41 lumo: -1.58 sigma_homo: 0.193 sigma_lumo: 0.196 singlet: 3.92 triplet: 3.16 sigma_singlet: 0.129 sigma_triplet: 0.130 dipole_strength: 6.31 transition_dipole_anisotropy: 0.335 compositions: - id: 0 name: C45H30N6 (AMS) description: Calculated by the AMS OLED workflows fractions: - material_id: 1 fraction: 1.0