• Formula : V2O5
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 7.114
    b = 3.57177
    c = 6.2846
    α = 90.0
    β = 90.069
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 112
  • Band gap = 1.6128 eV
    Direct Gap = 1.826 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure of a high-pressure phase of vanadium pentoxide, \b-V~2~O~5~,
    Acta Crystallographica Section B 60, 375 (2004)

Band structure with spin-orbit coupling