• Formula : SiCu2S3
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.332
    b = 11.23
    c = 6.273
    α = 90.0
    β = 107.49
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 88
  • Band gap = 1.2953 eV
    Direct Gap = 1.295 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 88235

Band structure with spin-orbit coupling