• Formula : GaBiO3
  • Space Group : Pcca (54)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.4162
    b = 5.1335
    c = 9.9369
    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 = 1.8816 eV
    Direct Gap = 1.936 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-pressure synthesis, crystal structures, and properties of perovskite-like Bi Al O3 and pyroxene-like Bi Ga O3,
    Chemistry of Materials (1,1989-) 18, 133 (2006)

Band structure with spin-orbit coupling