• Formula : P
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 3.524
    b = 3.524
    c = 3.524
    α = 57.25
    β = 57.25
    γ = 57.25
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 10
  • Band gap = 0.0 eV
    Direct Gap = 0.027 eV
    Metallicity = 0.163
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 647901

Band structure with spin-orbit coupling