• Formula : K2PdF4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.752
    b = 5.976
    c = 4.202
    α = 90.0
    β = 92.17
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 64
  • Band gap = 2.0078 eV
    Direct Gap = 2.089 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 33888

Band structure with spin-orbit coupling