• 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 = 112
  • Band gap = 2.2283 eV
    Direct Gap = 2.259 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 15072

Band structure with spin-orbit coupling