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GaSb

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1018059 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula
GaSb
MP-ID
mp-1018059
Elements
2
Sites
4
Density
5.5141
g/cm³
Volume
115.33
ų
Cell a
4.3196
Å
Cell b
4.3214
Å
Cell c
7.1330
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.99
°
Space Group
P6_3mc
Point Group
6mm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
23.77 3.7430 50.0 (0,1,-1,0)
23.78 3.7414 100.0 (1,0,-1,0)
24.97 3.5665 92.4 (0,0,0,2)
26.90 3.3144 44.0 (0,1,-1,1)
26.91 3.3133 44.1 (1,0,-1,1)
26.91 3.3133 44.1 (1,-1,0,1)
34.74 2.5820 19.5 (0,1,-1,2)
34.75 2.5815 39.0 (1,0,-1,2)
41.81 2.1607 44.6 (1,1,-2,0)
41.81 2.1607 44.6 (1,-2,1,0)
41.82 2.1598 44.5 (2,-1,-1,0)
45.18 2.0070 46.4 (0,1,-1,3)
45.18 2.0067 92.8 (1,0,-1,3)
48.65 1.8715 7.1 (0,2,-2,0)
48.67 1.8707 7.1 (2,0,-2,0)
48.67 1.8707 7.1 (2,-2,0,0)
49.31 1.8480 28.5 (1,1,-2,2)
49.31 1.8480 28.5 (1,-2,1,2)
49.33 1.8475 28.5 (2,-1,-1,2)
50.41 1.8102 7.7 (0,2,-2,1)
50.43 1.8095 7.7 (2,0,-2,1)
50.43 1.8095 7.7 (2,-2,0,1)
51.23 1.7832 1.5 (0,0,0,4)
55.45 1.6572 5.0 (0,2,-2,2)
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Energy Properties

Formation Energy/atom
-0.21481
eV/atom
Energy/atom
-18.78935
eV/atom
Energy above Hull
0.0145
eV/atom
Uncorrected Energy
-18.7894
eV/atom
Volume/atom
28.83
ų
c/a Ratio
1.6513

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

KVRH
44.722
GPa
GVRH
29.749
GPa
Young's Modulus E
73.050
GPa
Poisson Ratio ν
0.228
Pugh Ratio K/G
1.503
Vickers Hardness Est.
6.034
GPa
Ductility
Ductile
Anisotropy
0.206
Lame λ
24.889
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.615
Family
Binary Alloy
Matrix Element
Ga · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.2060
Homogeneous Poisson ν
0.2280
Debye Temperature
249.7
K
Sound Velocity
2,572.1
m/s
Homogeneity
0.2280

Related Tasks

Related computation task IDs (5)
aaacisau aaadusbt aaaehivm aaaetesv aaafcwps

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1018059
Reference Citation

The crystal structure and related material properties of GaSb were obtained from the Materials Project database (MP-ID: mp-1018059, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# generated using pymatgen
data_GaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31959334
_cell_length_b   4.32144471
_cell_length_c   7.13296547
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.98580608
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSb
_chemical_formula_sum   'Ga2 Sb2'
_cell_volume   115.32797728
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ga  Ga0  1  0.66641345  0.33282690  0.50068308  1.0
  Ga  Ga1  1  0.33358655  0.66717310  0.00068308  1.0
  Sb  Sb2  1  0.66679727  0.33359355  0.87421692  1.0
  Sb  Sb3  1  0.33320273  0.66640645  0.37421692  1.0
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