• Formula : Ga2S3
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 11.107
    b = 6.395
    c = 7.021
    α = 90.0
    β = 121.17
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 88
  • Band gap = 1.8887 eV
    Direct Gap = 1.889 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Refinement of the crystal structure of digallium trisulfide, Ga~2~S~3~,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 216, 327 (2001)

Band structure with spin-orbit coupling