• Formula : VBiO4
  • Space Group : I4_1/amd (141)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.303
    b = 7.303
    c = 6.584
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 104
  • Band gap = 2.5386 eV
    Direct Gap = 2.543 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Dreyerite: ein naturliches, tetragonales wismutvanadat von Hirschhorn/Pfalz Locality: Hirschhorn, Pfalz, Germany,
    Neues Jahrbuch fur Mineralogie, Monatshefte 1981, 151 (1981)

Band structure with spin-orbit coupling