• Formula : V3O5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.859
    b = 5.0416
    c = 6.991
    α = 90.0
    β = 109.478
    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 = 0.593
    Topological Z2 indices ν = (1;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of and valency distribution in the low-temperature modification of V3 O5. The decisive importance of a few very weak reflexions in a crystal-structure,
    Acta Crystallographica B (24,1968-38,1982) 36, 1332 (1980)

Band structure with spin-orbit coupling