Ir4Th2

MatHub3d-56589-Ir4Th2

Basic properties

Property Value
Space group (227, "'Fd-3m'")
Magnetic False
Band gap (PBE) (eV) 0
Total energy (eV) -44.079
Total energy / atom (eV) -7.346

Lattice Parameters(from the source)

a, b, c (Å): 7.670 7.670 7.670
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 5.410 5.410 5.410
α, β, γ(°): 60.0 60.0 60.0

Energy and volume

Ir4Th2
.
Property Value
Bulk-modulus 195.958 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ir4Th2
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-104571-Ir4Th2