• Formula : Nb(SBr)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.5429
    b = 6.5505
    c = 7.2448
    α = 89.863
    β = 67.397
    γ = 60.443
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 78
  • Band gap = 1.4142 eV
    Direct Gap = 1.475 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 424413

Band structure with spin-orbit coupling