• Formula : P3Ru
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.924
    b = 8.213
    c = 5.866
    α = 112.35
    β = 107.41
    γ = 98.19
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 124
  • Band gap = 1.1482 eV
    Direct Gap = 1.201 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 62420

Band structure with spin-orbit coupling