• Formula : YTiGe
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.049
    b = 4.049
    c = 15.258
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 54
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.728
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ce Sc Si - and Ce Fe Si-type structures in compounds derived from Gd Ti Ge,
    Journal of Alloys Compd. 297, 168 (2000)

Band structure with spin-orbit coupling