• Formula : Na4PbO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.985
    b = 6.756
    c = 5.922
    α = 124.75
    β = 96.75
    γ = 100.18
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 148
  • Band gap = 1.5361 eV
    Direct Gap = 1.536 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 74859

Band structure with spin-orbit coupling