• Formula : Nb(SBr)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.5615
    b = 11.3015
    c = 6.8655
    α = 90.0
    β = 110.073
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 78
  • Band gap = 1.3148 eV
    Direct Gap = 1.325 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 424414

Band structure with spin-orbit coupling