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Formula : Y
3
Ga
8
Ag
3
Space Group :
Immm (71)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 4.3034
b = 12.802
c = 9.522
α = 90.0
β = 90.0
γ = 90.0
Number of atoms per primitive cell = 14
Total number of electrons per primitive cell = 170
Band gap = 0.0 eV
Direct Gap = 0.006 eV
Metallicity = 0.395
Topological Z2 indices ν = (1;111)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 602589
Band structure with spin-orbit coupling