• Formula : Pd(SeCl3)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 16.521
    b = 7.048
    c = 8.451
    α = 90.0
    β = 90.0
    γ = 100.12
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 144
  • Band gap = 1.6214 eV
    Direct Gap = 1.627 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 39435

Band structure with spin-orbit coupling