• Formula : Ga2CuCl8
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.543
    b = 7.406
    c = 12.258
    α = 90.0
    β = 93.9
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 186
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.665
    Topological Z2 indices ν = (0;010)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis, Raman spectrum and crystal structure of Cu (Ga Cl4)2,
    Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 295, 171 (1982)

Band structure with spin-orbit coupling