• Formula : Bi2O3
  • Space Group : R3m (160)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 5.78
    b = 5.78
    c = 5.78
    α = 88.8
    β = 88.8
    γ = 88.8
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 56
  • Band gap = 2.2643 eV
    Direct Gap = 2.309 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 168810

Band structure with spin-orbit coupling