• Formula : Ca5P8
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.899
    b = 11.883
    c = 7.484
    α = 90.0
    β = 108.25
    γ = 90.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 90
  • Band gap = 1.1515 eV
    Direct Gap = 1.169 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 74854

Band structure with spin-orbit coupling