• Formula : PtS
  • Space Group : P4_2/mmc (131)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.47
    b = 3.47
    c = 6.1
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 32
  • Band gap = 0.4074 eV
    Direct Gap = 0.407 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Determination of minerals in platinum concentrates from the transvall by x-ray methods.,
    Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 23, 188 (1932)

Band structure with spin-orbit coupling