• Formula : NbTeBr3
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 12.597
    b = 7.135
    c = 6.67
    α = 90.0
    β = 97.64
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 160
  • Band gap = 0.5241 eV
    Direct Gap = 0.644 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 35376

Band structure with spin-orbit coupling