• Formula : InBiO3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.95462
    b = 8.3864
    c = 5.60185
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 184
  • Band gap = 2.1564 eV
    Direct Gap = 2.242 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Bi In O3: a polar oxide with Gd Fe O3-type perovskite structure,
    Chemistry of Materials (1,1989-) 18, 1964 (2006)

Band structure with spin-orbit coupling