• Formula : V2O5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 12.17
    b = 2.99
    c = 4.83
    α = 90.0
    β = 98.25
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 56
  • Band gap = 0.4944 eV
    Direct Gap = 0.760 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A crystal chemical study of the vanadium oxide minerals, haggite and doloresite,
    American Mineralogist 45, 1144 (1960)

Band structure with spin-orbit coupling