• Formula : Ti4Ga3Ni2
  • Space Group : P-62m (189)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.99
    b = 6.99
    c = 6.24
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 214
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.895
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of Ti Ni Ga, Ti8 Ni4 Ga6 and Ti Cu Ga,
    Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki 1983, 35 (1983)

Band structure with spin-orbit coupling