• Formula : Sb2Te4Pb
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.35
    b = 4.35
    c = 41.712
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 48
  • Band gap = 0.1535 eV
    Direct Gap = 0.154 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (1;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 250250

Band structure with spin-orbit coupling