• Formula : K2Sn(AuS2)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.212
    b = 9.11
    c = 7.314
    α = 97.82
    β = 111.72
    γ = 72.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 156
  • Band gap = 1.7411 eV
    Direct Gap = 1.955 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 74022

Band structure with spin-orbit coupling