• Formula : ZrTe2Br5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 9.647
    b = 11.26
    c = 10.125
    α = 90.0
    β = 95.49
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 102
  • Band gap = 1.0371 eV
    Direct Gap = 1.115 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 69975

Band structure with spin-orbit coupling