• Formula : Cr5Si3
  • Space Group : I4/mcm (140)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.17
    b = 9.17
    c = 4.636
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.582
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Cr5 Si3,
    Journal of Physical Chemistry 60, 443 (1956)

Band structure with spin-orbit coupling