• Formula : InTeI
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 8.076
    b = 7.731
    c = 8.407
    α = 90.0
    β = 117.03
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 104
  • Band gap = 1.3786 eV
    Direct Gap = 1.379 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstrukturen von In Te I und In Se I,
    Materials Research Bulletin 15, 753 (1980)

Band structure with spin-orbit coupling