• Formula : V2CdO6
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.359
    b = 3.568
    c = 6.98
    α = 90.0
    β = 112.0
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 74
  • Band gap = 2.1666 eV
    Direct Gap = 2.225 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Les vanadates de cadmium. Structure cristalline du metavanadate de haute temperature,
    Bulletin de la Societe Chimique de France (Vol=Year) 1969, 736 (1969)

Band structure with spin-orbit coupling