• Formula : RuS3Cl8
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 7.754
    b = 7.997
    c = 10.708
    α = 103.74
    β = 98.44
    γ = 108.58
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 180
  • Band gap = 1.8706 eV
    Direct Gap = 1.957 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 410112

Band structure with spin-orbit coupling