• Formula : SiRh
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.588
    b = 4.568
    c = 5.535
    α = 90.0
    β = 115.92
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.703 eV
    Metallicity = 0.033
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 653588

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes