• Formula : TaSiRh
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.366
    b = 3.747
    c = 7.298
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 136
  • Band gap = 0.0 eV
    Direct Gap = 0.051 eV
    Metallicity = 0.141
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    New equiatomic silicides of M M' Si (M = Nb, Ta; M' = Pt, Rh) and superconductivity of Ta1-x Nbx Pt Si,
    Journal of Alloys Compd. 309, 51 (2000)

Band structure with spin-orbit coupling