• Formula : NbBr2O
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 13.833
    b = 3.9079
    c = 7.023
    α = 90.0
    β = 105.026
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 66
  • Band gap = 0.7552 eV
    Direct Gap = 0.860 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 416669

Band structure with spin-orbit coupling