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GaN

Elasticity Data ELA

MP-ID: mp-830 · Space group: F-43m (#216)

Basic Information

Formula
GaN
MP-ID
mp-830
Elements
2
Sites
2
Density
6.0747
g/cm³
Volume
22.89
ų
Cell a
3.1869
Å
Cell b
3.1869
Å
Cell c
3.1869
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
Cubic F
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 17)
2θd (Å)Ihkl
34.47 2.6021 50.0 (0,1,0)
34.47 2.6021 100.0 (0,0,1)
34.47 2.6021 50.0 (1,0,0)
40.01 2.2535 65.1 (1,1,0)
57.87 1.5935 27.5 (0,1,-1)
57.87 1.5935 13.7 (1,1,2)
57.87 1.5935 13.7 (1,-1,0)
57.87 1.5935 27.5 (1,0,-1)
69.13 1.3589 30.5 (1,2,0)
69.13 1.3589 24.4 (0,1,2)
69.13 1.3589 12.2 (1,-1,-1)
69.13 1.3589 6.1 (2,1,0)
72.67 1.3011 3.9 (0,2,0)
72.67 1.3011 7.8 (0,0,2)
72.67 1.3011 3.9 (2,0,0)
86.35 1.1268 8.2 (2,0,2)
86.35 1.1268 4.1 (2,2,0)
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Energy Properties

Formation Energy/atom
-0.66332
eV/atom
Energy/atom
-10.94908
eV/atom
Energy above Hull
0.0067
eV/atom
Uncorrected Energy
-10.9491
eV/atom
Volume/atom
11.44
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
1.570
eV
Direct Gap
Yes
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
171.704
GPa
GVRH
103.147
GPa
Young's Modulus E
257.816
GPa
Poisson Ratio ν
0.250
Pugh Ratio K/G
1.665
Vickers Hardness Est.
13.594
GPa
Ductility
Ductile
Anisotropy
0.947
Lame λ
102.939
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.9470
Homogeneous Poisson ν
0.2500
Debye Temperature
604.2
K
Sound Velocity
4,574.6
m/s
Homogeneity
0.2500

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-830
Reference Citation

The crystal structure and related material properties of GaN were obtained from the Materials Project database (MP-ID: mp-830, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_GaN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18693029
_cell_length_b   3.18693186
_cell_length_c   3.18693158
_cell_angle_alpha   60.00000291
_cell_angle_beta   59.99998662
_cell_angle_gamma   59.99999527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaN
_chemical_formula_sum   'Ga1 N1'
_cell_volume   22.88774647
_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
  Ga  Ga0  1  0.00000000  -0.00000000  0.00000000  1.0
  N  N1  1  0.25000000  0.25000000  0.25000000  1.0
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