Al1Sb1

MatHub2d-29-Al1Sb1

Property Value
Space group (156, 'P3m1')
Crystal system hexagonal
Magnetic No
Band gap (PBE) (eV) 1.41
Free energy (eV) -7.266
Free energy / atom (eV) -3.633

Lattice Parameters (basic)

a, b, c (Å): 4.394 4.394 30.000
α, β, γ (°): 90.000 90.000 120.000

Lattice Parameters (computed)

a, b, c (Å): 4.402 4.402 30.000
α, β, γ (°): 90.000 90.000 120.000
Al1Sb1
Property Value
Band gap 1.41 eV
E-fermi -3.634 eV
Vacuum level 1.422 eV
VBM -3.856 eV
CBM -2.443 eV
Work function 5.056 eV
Direct gap No
Al1Sb1
Property Value
Band gap 1.41 eV
E-fermi -3.634 eV
Vacuum level 1.422 eV
VBM -3.856 eV
CBM -2.443 eV
Work function 5.056 eV
Cij (N/m) xx yy xy
xx 38.951 13.922 0.000
yy 13.922 38.951 -0.000
xy 0.000 -0.000 12.514
Phonon mode at Γ point (THz)
0.000
0.001
0.001
4.422
10.051
10.051
Seebeck
p-type
n-type



Sigma
p-type
n-type
Property Value
from where c2db-677