• Formula : Bi2O3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.8486
    b = 8.1661
    c = 7.5097
    α = 90.0
    β = 113.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 192
  • Band gap = 2.2166 eV
    Direct Gap = 2.249 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of alpha-Bi2O3 Locality: synthetic,
    Acta Chemica Scandinavica 24, 384 (1970)

Band structure with spin-orbit coupling