GeSb
Traditional Materials TRA Elasticity Data ELAMP-ID: mp-9935 · Space group: Fm-3m (#225)
Basic Information
Formula
GeSb
MP-ID
mp-9935
Elements
2
Sites
2
Density
6.5265
g/cm³
Volume
49.46
ų
Cell a
4.1203
Å
Cell b
4.1203
Å
Cell c
4.1203
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cF
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 10)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 26.49 | 3.3642 | 10.4 | (1,1,1) |
| 30.69 | 2.9135 | 100.0 | (1,1,0) |
| 43.95 | 2.0601 | 73.8 | (2,1,1) |
| 52.05 | 1.7569 | 4.8 | (2,2,1) |
| 54.56 | 1.6821 | 25.7 | (2,2,2) |
| 63.90 | 1.4567 | 11.8 | (2,2,0) |
| 70.44 | 1.3368 | 1.9 | (3,2,2) |
| 72.55 | 1.3030 | 32.4 | (3,2,1) |
| 80.80 | 1.1894 | 24.3 | (3,3,2) |
| 86.86 | 1.1214 | 1.6 | (3,3,3) |
Energy Properties
Formation Energy/atom
0.04943
eV/atom
Energy/atom
-19.73972
eV/atom
Energy above Hull
0.0494
eV/atom
Uncorrected Energy
-4.2306
eV/atom
Volume/atom
24.73
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0026
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000050
μB/ų
Elastic Properties
KVRH
60.206
GPa
GVRH
22.852
GPa
Young's Modulus E
60.856
GPa
Poisson Ratio ν
0.332
Pugh Ratio K/G
2.635
Vickers Hardness Est.
1.016
GPa
Ductility
Brittle
Anisotropy
3.589
Lame λ
44.971
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 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
0.591
Family
Binary Alloy
Matrix Element
Ge · 0.500
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
3.5890
Homogeneous Poisson ν
0.3320
Debye Temperature
214.4
K
Sound Velocity
2,098.7
m/s
Homogeneity
0.3320
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-9935
Reference Citation
The crystal structure and related material properties of GeSb were obtained from the Materials Project database (MP-ID: mp-9935, 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
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_GeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12028859
_cell_length_b 4.12028859
_cell_length_c 4.12028859
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GeSb
_chemical_formula_sum 'Ge1 Sb1'
_cell_volume 49.46157118
_cell_formula_units_Z 1
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
Ge Ge0 1 0.00000000 0.00000000 0.00000000 1.0
Sb Sb1 1 0.50000000 0.50000000 0.50000000 1.0
