• Formula : Cd3(BO3)2
  • Space Group : Pnnm (58)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.968
    b = 4.786
    c = 9.012
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 156
  • Band gap = 1.639 eV
    Direct Gap = 1.639 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Tricadmium bis(borate), Cd~3~(BO~3~)~2~,
    Acta Crystallographica Section E 63, i50 (2007)

Band structure with spin-orbit coupling