• Formula : TePt
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.111
    b = 4.111
    c = 5.446
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 32
  • Band gap = 0.0 eV
    Direct Gap = 0.034 eV
    Metallicity = 0.412
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Niggliite, a monotelluride of platinum,
    American Mineralogist 40, 693 (1955)

Band structure with spin-orbit coupling