• Formula : Bi2O3
  • Space Group : P-42_1c (114)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.98
    b = 7.98
    c = 5.71
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 112
  • Band gap = 1.4533 eV
    Direct Gap = 1.453 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 168812

Band structure with spin-orbit coupling