• Formula : VClO
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.78
    b = 3.3
    c = 7.91
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 52
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.323
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Vanadium oxychloride,
    Acta Crystallographica B (24,1968-38,1982) 31, 2521 (1975)

Band structure with spin-orbit coupling