• Formula : K2Pb(SO4)2
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.497
    b = 5.497
    c = 20.864
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 92
  • Band gap = 3.8802 eV
    Direct Gap = 4.111 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    X-ray powder diffraction study of synthetic palmierite, K2Pb(SO4)2 Locality: synthetic,
    Powder Diffraction 16, 92 (2001)

Band structure with spin-orbit coupling