• Formula : Sb2S3
  • Space Group : Pmn2_1 (31)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 11.233
    b = 11.315
    c = 3.838
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 112
  • Band gap = 0.0 eV
    Direct Gap = 0.034 eV
    Metallicity = 0.132
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 85302

Band structure with spin-orbit coupling