• Formula : TiSiRu
  • Space Group : Ima2 (46)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.0352
    b = 11.192
    c = 6.4734
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 192
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.597
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ternary equiatomic transition metal silicides and germanides,
    Journal of Solid State Chemistry 4, 123 (1972)

Band structure with spin-orbit coupling