• Formula : RbAlF4
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.1375
    b = 5.1375
    c = 6.2912
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 80
  • Band gap = 7.2538 eV
    Direct Gap = 7.349 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural phase transitions in ferroelastic Rb al F4: I. DSC, x-ray powder diffraction investigations and neutron powder profile refinement of the structures,
    Journal of Physics C 15, 183 (1982)

Band structure with spin-orbit coupling