• Formula : ScCo2
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.89
    b = 6.89
    c = 6.89
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 90
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.416
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal chemistry of Sc with Fe, Co and Mn,
    Voprosy Teorii i Primeneniya Redkozem Metal., Akad. Nauk SSSR 1983, 153 (1964)

Band structure with spin-orbit coupling