• Formula : RbSbS2
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 6.473
    b = 6.473
    c = 12.439
    α = 103.58
    β = 101.77
    γ = 104.04
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 104
  • Band gap = 1.8665 eV
    Direct Gap = 1.867 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of Rb Sb S2,
    Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 18, 1069 (1977)

Band structure with spin-orbit coupling