• Formula : VCdO3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.33435
    b = 7.5232
    c = 5.26394
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 172
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.658
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-pressure synthesis, crystal structures, and characterization of Cd V O(3-delta) and solid solutions Cd V O3 - Na V O3,
    Journal of Solid State Chemistry 179, 1650 (2006)

Band structure with spin-orbit coupling