• Formula : CdSe2O5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.024
    b = 11.319
    c = 6.02
    α = 90.0
    β = 119.38
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 108
  • Band gap = 3.2062 eV
    Direct Gap = 3.475 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Cadmium diselenite and cadmium hydrogenselenite selenite,
    Acta Crystallographica Section C 50, 1381 (1994)

Band structure with spin-orbit coupling