• Formula : Nb2Se9
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.209
    b = 8.304
    c = 13.061
    α = 120.93
    β = 123.85
    γ = 92.31
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 160
  • Band gap = 0.6652 eV
    Direct Gap = 0.741 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 645386

Band structure with spin-orbit coupling