• Formula : Sb2Te3
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.264
    b = 4.264
    c = 30.458
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 28
  • Band gap = 0.1121 eV
    Direct Gap = 0.227 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Refinement of the Sb2Te3 and Sb2Te3Se structures and their relationship to nonstoichiometric Sb2Te(3-y)Se(y) compounds Locality: synthetic Sample: T = 29 C,
    Acta Crystallographica, Section B 30, 1307 (1974)

Band structure with spin-orbit coupling