Gd1Se2Tl1

MatHub3d-49567-Gd1Se2Tl1

Basic properties

Property Value
Space group (166, "'R-3m'")
Magnetic False
Band gap (PBE) (eV) 1.26
Total energy (eV) -19.391
Total energy / atom (eV) -4.848

Lattice Parameters(from the source)

a, b, c (Å): 4.180 4.180 23.080
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 8.130 8.130 8.130
α, β, γ(°): 30.0 30.0 30.0

Deformation Potential

n_type (eV): 3.010
p_type (eV): 0.173

Energy and volume

Gd1Se2Tl1
.
Property Value
Bulk-modulus 47.264 GPa

Density of States (DOS)







Electronic band structure (PBE)

Gd1Se2Tl1
  
Property Value
Band gap 1.26 eV
Band degeneracy(CBM) 3.00
Band degeneracy(VBM) 1.00

Data source

Property Value
Source icsd-106989-Gd1Se2Tl1