• Formula : Rh2S3
  • Space Group : Pbcn (60)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.462
    b = 5.985
    c = 6.138
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 208
  • Band gap = 0.3041 eV
    Direct Gap = 0.310 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A new structure type with octahedron pairs for Rh2S3,Rh2Se3 and Ir2S3 Locality: synthetic,
    Acta Crystallographica 23, 832 (1967)

Band structure with spin-orbit coupling