• Formula : Ga
  • Space Group : I-43d (220)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.951
    b = 5.951
    c = 5.951
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 78
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.972
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of Ga(II) and Ga(III) Loclailty: synthetic Sample: at P = 2.6 GPa, T = 313 K Note: structure known as Ga(II) phase,
    Journal of Chemical Physics 68, 1221 (1978)

Band structure with spin-orbit coupling