As12Eu12O4Ta4

MatHub3d-7006-As12Eu12O4Ta4

Basic properties

Property Value
Space group (62, "'Pnma'")
Magnetic False
Band gap (PBE) (eV) 1.06
Total energy (eV) -189.408
Total energy / atom (eV) -5.919

Lattice Parameters(from the source)

a, b, c (Å): 6.330 10.620 12.800
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 6.300 10.560 12.710
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): 3.487
p_type (eV): 2.348

Energy and volume

As12Eu12O4Ta4
.
Property Value
Bulk-modulus 67.549 GPa

Density of States (DOS)







Electronic band structure (PBE)

As12Eu12O4Ta4
  
Property Value
Band gap 1.06 eV
Band degeneracy(CBM) 2.00
Band degeneracy(VBM) 2.00

Electric transport properties

n-type Seebeck coefficient (700K)



p-type Seebeck coefficient (700K)
n-type conductivity (700K)



p-type conductivity (700K)
n-type power factor (700K)



p-type power factor (700K)

Bonding information







Eband_VBM -7.98905
Eband_CBM -27.9349

Data source

Property Value
Source icsd-10447-As12Eu12O4Ta4