• Formula : Te4MoBr
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.821
    b = 7.836
    c = 7.931
    α = 113.25
    β = 102.97
    γ = 101.37
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 90
  • Band gap = 0.8068 eV
    Direct Gap = 0.807 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 82245

Band structure with spin-orbit coupling