• Formula : VBiO4
  • Space Group : Pbcn (60)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.332
    b = 5.06
    c = 12.02
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 208
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.215
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A preliminary structure for pucherite, BiVO4,
    American Mineralogist 37, 423 (1952)

Band structure with spin-orbit coupling