• Formula : TlRe
  • Space Group : Imma (74)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.623
    b = 5.791
    c = 13.295
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 56
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.224
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur der Alkaliperrhenate und -periodate _cod_database_code 1010427,
    Zeitschrift fur Kristallographie 97, 300 (1937)

Band structure with spin-orbit coupling