---
materials:
- id: 1
  name: C33H24IrN3
  description: MolToSmiles failed for C33H24IrN3
  homo: -5.91
  lumo: -1.59
  sigma_homo: 0.122
  sigma_lumo: 0.122
  singlet: 3.01
  triplet: 2.79
  sigma_singlet: 0.031
  sigma_triplet: 0.022
  dipole_strength: 7.20
  transition_dipole_anisotropy: 0.325
- id: 2
  name: C36H24N2
  description: c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
  homo: -6.06
  lumo: -1.44
  sigma_homo: 0.117
  sigma_lumo: 0.133
  singlet: 3.77
  triplet: 3.22
  sigma_singlet: 0.141
  sigma_triplet: 0.141
  dipole_strength: 0.83
  transition_dipole_anisotropy: 0.306
compositions:
- id: 0
  name: C33H24IrN3 + C36H24N2 (AMS)
  description: Calculated by the AMS OLED workflows
  fractions:
  - material_id: 1
    fraction: 0.05
  - material_id: 2
    fraction: 0.95