• Formula : GaC5
  • Space Group : P-42c (112)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.4119
    b = 5.4119
    c = 10.2007
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 66
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.575
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene,
    Journal of the American Chemical Society 128, 13463 (2006)

Band structure with spin-orbit coupling