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Formula : Re
3
B
Space Group :
Cmcm (63)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 2.8911
b = 9.3156
c = 7.2618
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 8
Total number of electrons per primitive cell = 96
Band gap = 0.0 eV
Direct Gap = 0.022 eV
Metallicity = 0.653
Topological Z2 indices ν = (1;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 191913
Band structure with spin-orbit coupling