• Formula : Bi2O3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.83
    b = 8.14
    c = 7.48
    α = 90.0
    β = 67.07
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 192
  • Band gap = 0.0 eV
    Direct Gap = 0.077 eV
    Metallicity = 0.116
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur des monoklinen $-alpha-Bi~2~ O~3~,
    Naturwissenschaften 28, 206 (1940)

Band structure with spin-orbit coupling