• Formula : Cr3Os
  • Space Group : Pm-3n (223)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.677
    b = 4.677
    c = 4.677
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 116
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.700
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    X-ray diffraction study of the sigma-phase in the systems Re - Cr, Ru - Cr, and Os - Cr,
    Transactions of the American Institute of Mining, Metallurgical and Petroleum Engineers 209, 872 (1957)

Band structure with spin-orbit coupling