• Formula : Cr2CoS4
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.923
    b = 9.923
    c = 9.923
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 138
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.420
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Locality: synthetic Crystallographic study of chromium spinels,
    Journal of Applied Physics 37, 1436 (1966)

Band structure with spin-orbit coupling