• Formula : ScSi7Rh3
  • Space Group : R-3c (167)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.5056
    b = 7.5056
    c = 19.691
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 180
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.289
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Trirhodium scandium heptasilicide and triiridium scandium heptasilicide with a new rhombohedral structure type,
    Acta Crystallographica B (24,1968-38,1982) 37, 671 (1981)

Band structure with spin-orbit coupling