• Formula : RbAlF4
  • Space Group : P4/mmm (123)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.6586
    b = 3.6586
    c = 6.3061
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 40
  • Band gap = 7.1638 eV
    Direct Gap = 7.596 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