• Formula : Tl2Hg2PdCl8
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 11.358
    b = 6.728
    c = 9.752
    α = 90.0
    β = 109.32
    γ = 90.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 124
  • Band gap = 1.6229 eV
    Direct Gap = 1.675 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 203186

Band structure with spin-orbit coupling