• Formula : CoSbS
  • Space Group : Pbca (61)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.842
    b = 5.951
    c = 11.666
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 224
  • Band gap = 0.3684 eV
    Direct Gap = 0.396 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of costibite (CoSbS) and paracostibite(CoSbS),
    The Canadian Mineralogist 13, 188 (1975)

Band structure with spin-orbit coupling