• Formula : Ta2Ni
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.197
    b = 6.197
    c = 4.86
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.544
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results,
    Journal of the Less-Common Metals 27, 169 (1972)

Band structure with spin-orbit coupling