• Formula : Bi2O3
  • Space Group : P-4b2 (117)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 10.95
    b = 10.95
    c = 5.63
    α = 90.0
    β = 90.0
    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 = 0.000 eV
    Metallicity = 0.728
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Uber Wismutoxide. VI. Uber ein Wismut(III)-oxid mit hoherem sauerstoffgehalt (beta-modifikation) Locality: synthetic,
    Zeitschrift fur Anorganische und Allgemeine Chemie 328, 44 (1964)

Band structure with spin-orbit coupling