• Formula : Sc2MnS4
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.606
    b = 10.606
    c = 10.606
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 122
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.688
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural investigations of the compounds A Sc2 S4 (A = Mn, Fe, Cd),
    Journal of Alloys Compd. 334, 92 (2002)

Band structure with spin-orbit coupling