• Formula : NaSbS2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.828
    b = 5.825
    c = 6.833
    α = 113.48
    β = 113.46
    γ = 90.07
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 52
  • Band gap = 0.898 eV
    Direct Gap = 0.898 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of alpha-Na Sb S2,
    Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 20, 148 (1979)

Band structure with spin-orbit coupling