• Formula : Mo(RhO3)2
  • Space Group : P4_2/mnm (136)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.606
    b = 4.606
    c = 9.063
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 168
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.445
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Chimie minerale.-Preparation et etude de la phase trirutile Mo Rh~2~ O~6~,
    Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 284, 921 (1977)

Band structure with spin-orbit coupling