• Formula : Si3P2Pt
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.84
    b = 5.482
    c = 8.052
    α = 91.57
    β = 93.52
    γ = 108.14
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 64
  • Band gap = 0.6365 eV
    Direct Gap = 1.195 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 84944

Band structure with spin-orbit coupling