• Formula : Sb(MoS)2
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.5092
    b = 3.18231
    c = 9.3548
    α = 90.0
    β = 105.443
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 90
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.609
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Syntehsis, structure and physical properties of mixed valent Mo2 Sb S2, the first superconducting antimonide-sulfide,
    Chemistry of Materials (1,1989-) 15, 780 (2003)

Band structure with spin-orbit coupling