• Formula : K4PbO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.5862
    b = 6.5841
    c = 9.8664
    α = 79.74
    β = 108.45
    γ = 112.49
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 148
  • Band gap = 1.908 eV
    Direct Gap = 1.929 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 37268

Band structure with spin-orbit coupling