• Formula : Sr(AlS2)2
  • Space Group : Cccm (66)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.044
    b = 10.21
    c = 10.46
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 80
  • Band gap = 3.807 eV
    Direct Gap = 3.844 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 609259

Band structure with spin-orbit coupling