• Formula : KLi3PbO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.972
    b = 5.9252
    c = 5.9312
    α = 88.05
    β = 107.94
    γ = 107.3
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 112
  • Band gap = 1.829 eV
    Direct Gap = 1.830 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 37084

Band structure with spin-orbit coupling