Hg1Tl1

MatHub3d-54042-Hg1Tl1

Basic properties

Property Value
Space group (221, "'Pm-3m'")
Magnetic False
Band gap (PBE) (eV) 0.05
Total energy (eV) -2.439
Total energy / atom (eV) -1.220

Lattice Parameters(from the source)

a, b, c (Å): 3.710 3.710 3.710
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 3.890 3.890 3.890
α, β, γ(°): 90.0 90.0 90.0

Energy and volume

Hg1Tl1
.
Property Value
Bulk-modulus 23.995 GPa

Density of States (DOS)







Electronic band structure (PBE)

Hg1Tl1
  
Property Value
Band gap 0.05 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-104360-Hg1Tl1