• Formula : Nb2Te4Cl10O
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.507
    b = 8.554
    c = 8.894
    α = 80.35
    β = 85.22
    γ = 73.65
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 126
  • Band gap = 1.1278 eV
    Direct Gap = 1.256 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 49920

Band structure with spin-orbit coupling