• Formula : Si5Pt6
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 15.308
    b = 3.48
    c = 6.12
    α = 90.0
    β = 86.32
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 160
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.841
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 43283

Band structure with spin-orbit coupling