• Formula : Ta5Ga3
  • Space Group : P6_3/mcm (193)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.681
    b = 7.681
    c = 5.28
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 208
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.935
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of alloys of the system Ta-Ga obtained at high pressure,
    Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy 15, 1210 (1979)

Band structure with spin-orbit coupling