As8Sr6

MatHub3d-6924-As8Sr6

Basic properties

Property Value
Space group (43, "'Fdd2'")
Magnetic False
Band gap (PBE) (eV) 0.61
Total energy (eV) -60.634
Total energy / atom (eV) -4.331

Lattice Parameters(from the source)

a, b, c (Å): 14.840 17.890 5.970
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 9.520 8.090 11.740
α, β, γ(°): 54.0 43.0 83.0

Deformation Potential

n_type (eV): 2.970
p_type (eV): 2.983

Energy and volume

As8Sr6
.
Property Value
Bulk-modulus 44.272 GPa

Density of States (DOS)







Electronic band structure (PBE)

As8Sr6
  
Property Value
Band gap 0.61 eV
Band degeneracy(CBM) 1.00
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 -13.72332
Eband_CBM -5.94509

Data source

Property Value
Source icsd-100110-As8Sr6