• Formula : Cs2AgAsS4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.783
    b = 7.191
    c = 11.088
    α = 73.61
    β = 75.1
    γ = 70.83
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 116
  • Band gap = 1.6825 eV
    Direct Gap = 1.775 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 55368

Band structure with spin-orbit coupling