• Formula : Si4P4Ru
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.9363
    b = 5.6341
    c = 6.1624
    α = 85.51
    β = 68.26
    γ = 70.69
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 52
  • Band gap = 1.442 eV
    Direct Gap = 1.660 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 79006

Band structure with spin-orbit coupling