• Formula : RbCl
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.548
    b = 6.548
    c = 6.548
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 16
  • Band gap = 5.0035 eV
    Direct Gap = 5.004 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Strukturen von Mn O, Mn S, Ag F, Ni S, Sn I4, Sr Cl2, Ba F2, Praezisionsmessungen einiger Alkalihalogenide.,
    Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 63, 222 (1926)

Band structure with spin-orbit coupling