• Formula : V3O5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.98
    b = 5.03
    c = 9.84
    α = 90.0
    β = 138.8
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 138
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.744
    Topological Z2 indices ν = (1;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Note on the crystal structure of trivanadium pentoxide,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 13, 603 (1959)

Band structure with spin-orbit coupling