• Formula : MgSi7Ir3
  • Space Group : R-3c (167)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.5232
    b = 7.5232
    c = 19.959
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 178
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.868
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    MgIr~3~Si~7~, a new magnesium iridium silicide with the ScRh~3~Si~7~ type structure,
    Acta Crystallographica Section E 62, i173 (2006)

Band structure with spin-orbit coupling