• Formula : MnSbSe2I
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.319
    b = 4.0359
    c = 10.105
    α = 90.0
    β = 91.27
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 78
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.343
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Manganese antimony diselenide iodide, MnSbSe~2~I,
    Acta Crystallographica Section C 59, i77 (2003)

Band structure with spin-orbit coupling