• Formula : TiAsRh
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.334
    b = 3.816
    c = 7.388
    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 = 0.005 eV
    Metallicity = 0.019
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Analyse de l'ordre dans les arseniures MM'As,
    Annales de Chimie (Paris) (Vol=Year) 9, 589 (1984)

Band structure with spin-orbit coupling