Ir5Th1

MatHub3d-56605-Ir5Th1

Basic properties

Property Value
Space group (191, "'P6/mmm'")
Magnetic False
Band gap (PBE) (eV) 0
Total energy (eV) -40.375
Total energy / atom (eV) -6.729

Lattice Parameters(from the source)

a, b, c (Å): 5.320 5.320 4.290
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 5.280 5.280 4.340
α, β, γ(°): 90.0 90.0 120.0

Energy and volume

Ir5Th1
.
Property Value
Bulk-modulus 247.163 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ir5Th1
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-104573-Ir5Th1