• Formula : SiSbPt
  • Space Group : Pbca (61)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.3128
    b = 6.3347
    c = 11.3945
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 152
  • Band gap = 0.2057 eV
    Direct Gap = 0.310 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 413194

Band structure with spin-orbit coupling