• Formula : V2O5
  • Space Group : Pmn2_1 (31)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 11.48
    b = 4.36
    c = 3.555
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 112
  • Band gap = 1.4532 eV
    Direct Gap = 1.614 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Kristalstructuur en colloidchemische Eigenschappen van Vanadiumpentoxyd,
    Chemisch Weekblad 33, 51 (1936)

Band structure with spin-orbit coupling