• Formula : Sc3Co2Ge3
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.078
    b = 9.93
    c = 13.243
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 158
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.899
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Interaction of scandium and germanium with cobalt and nickel,
    Neorganicheskie Materialy 27, 1433 (1991)

Band structure with spin-orbit coupling