• Formula : Li2RhF6
  • Space Group : P4_2/mnm (136)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.6388
    b = 4.6388
    c = 9.0557
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 130
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.654
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Einkristalluntersuchungen an Li M F6 (M = Rh, Ir), Li2 Rh F6 und K2Ir F6,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 628, 133 (2002)

Band structure with spin-orbit coupling