Po1Zn1

MatHub3d-71975-Po1Zn1

Property Value
Space group (216, "'F-43m'")
Magnetic False
Band gap (PBE) (eV) 0.13
Total energy (eV) -4.022
Total energy / atom (eV) -2.011

Lattice Parameters(from the source)

a, b, c (Å): 6.310 6.310 6.310
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 4.490 4.490 4.490
α, β, γ(°): 60.0 60.0 60.0

Deformation Potential

n_type (eV): -3.298
p_type (eV): -1.785
Po1Zn1
.
Property Value
Bulk-modulus 35.753 GPa






Po1Zn1
  
Property Value
Band gap 0.13 eV
Band degeneracy(CBM) 0.00
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)






Eband_VBM -0.53856
Eband_CBM -0.03517
Property Value
Source icsd-105771-Po1Zn1