• Formula : Ag2BiO3
  • Space Group : Pnna (52)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.975
    b = 6.311
    c = 9.563
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 220
  • Band gap = 0.0 eV
    Direct Gap = 0.017 eV
    Metallicity = 0.038
    Topological Z2 indices ν = (1;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Bismuth in Ag2 Bi O3: Tetravalent or internally disproportionated ?,
    Journal of Solid State Chemistry 147, 117 (1999)

Band structure with spin-orbit coupling