• Formula : AsS2
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 7.916
    b = 9.937
    c = 7.118
    α = 90.0
    β = 106.41
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 136
  • Band gap = 1.2111 eV
    Direct Gap = 1.211 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 424590

Band structure with spin-orbit coupling