• Formula : InBiS3
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 9.763
    b = 3.7857
    c = 6.4284
    α = 90.0
    β = 88.5665
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 72
  • Band gap = 0.8716 eV
    Direct Gap = 1.031 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 290195

Band structure with spin-orbit coupling