• Formula : SnPbS2
  • Space Group : Pmc2_1 (26)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 11.1666
    b = 3.9994
    c = 4.2123
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 80
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.589
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 156131

Band structure with spin-orbit coupling