• Formula : Rb3BP2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.533
    b = 9.229
    c = 9.418
    α = 90.0
    β = 110.53
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 80
  • Band gap = 1.6726 eV
    Direct Gap = 2.002 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of trirubidium diarsenidoborate, Rb3 B As2 and trirubidium diphosphidoborate, Rb3 B P2,
    Zeitschrift fuer Kristallographie (149,1979-) 210, 779 (1995)

Band structure with spin-orbit coupling