• Formula : CdSO4
  • Space Group : Pn2_1m (31)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.6982
    b = 4.7191
    c = 6.5578
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 84
  • Band gap = 3.4241 eV
    Direct Gap = 3.718 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 100317

Band structure with spin-orbit coupling