• Formula : ScRh3
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.909
    b = 3.909
    c = 3.909
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 62
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.633
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Actinide(lanthanide)- noble metal alloy phases, preparation and properties,
    Journal of Solid State Chemistry 7, 40 (1973)

Band structure with spin-orbit coupling