• Formula : ZnSi(AgS2)2
  • Space Group : Pc (7)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.4052
    b = 6.5484
    c = 7.934
    α = 90.0
    β = 90.455
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 124
  • Band gap = 1.766 eV
    Direct Gap = 1.864 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 183705

Band structure with spin-orbit coupling