• Formula : Ba(SiRh)2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.918
    b = 6.637
    c = 7.668
    α = 90.0
    β = 91.2
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 208
  • Band gap = 0.0 eV
    Direct Gap = 0.014 eV
    Metallicity = 0.425
    Topological Z2 indices ν = (1;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 50158

Band structure with spin-orbit coupling