Ir6Mo2

MatHub3d-56612-Ir6Mo2

Basic properties

Property Value
Space group (194, "'P6_3/mmc'")
Magnetic False
Band gap (PBE) (eV) 0
Total energy (eV) -55.123
Total energy / atom (eV) -6.890

Lattice Parameters(from the source)

a, b, c (Å): 5.490 5.490 4.380
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 5.500 5.500 4.390
α, β, γ(°): 90.0 90.0 120.0

Energy and volume

Ir6Mo2
.
Property Value
Bulk-modulus 336.800 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ir6Mo2
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-104506-Ir6Mo2