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AlN

Elasticity Data ELA

MP-ID: mp-1700 · Space group: F-43m (#216)

Basic Information

Formula
AlN
MP-ID
mp-1700
Elements
2
Sites
2
Density
3.2668
g/cm³
Volume
20.83
ų
Cell a
3.0886
Å
Cell b
3.0886
Å
Cell c
3.0886
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 19)
2θd (Å)Ihkl
35.60 2.5219 50.0 (0,0,1)
35.60 2.5219 50.0 (1,1,1)
35.60 2.5219 100.0 (1,0,0)
41.34 2.1840 21.6 (1,1,0)
59.89 1.5443 16.5 (1,1,2)
59.89 1.5443 32.9 (1,0,-1)
59.89 1.5443 16.5 (1,2,1)
59.89 1.5443 32.9 (2,1,1)
71.66 1.3170 5.6 (1,0,2)
71.66 1.3170 16.8 (0,1,2)
71.66 1.3170 5.6 (2,1,2)
71.66 1.3170 22.4 (2,1,0)
71.66 1.3170 16.8 (1,-1,-1)
75.38 1.2609 1.8 (0,0,2)
75.38 1.2609 1.8 (2,2,2)
75.38 1.2609 1.8 (0,2,0)
75.38 1.2609 1.8 (2,0,0)
89.82 1.0920 9.8 (2,0,2)
89.82 1.0920 4.9 (2,2,0)
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Energy Properties

Formation Energy/atom
-1.65892
eV/atom
Energy/atom
-9.58935
eV/atom
Energy above Hull
0.0208
eV/atom
Uncorrected Energy
-9.5894
eV/atom
Volume/atom
10.42
ų
c/a Ratio
-

Electronic Properties

Metallic
Non-metal
Band Gap
3.304
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
194.648
GPa
GVRH
120.714
GPa
Young's Modulus E
300.104
GPa
Poisson Ratio ν
0.243
Pugh Ratio K/G
1.612
Vickers Hardness Est.
15.884
GPa
Ductility
Ductile
Anisotropy
1.284
Lame λ
114.172
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 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
1.2840
Homogeneous Poisson ν
0.2430
Debye Temperature
919.0
K
Sound Velocity
6,743.1
m/s
Homogeneity
0.2430

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1700
Reference Citation

The crystal structure and related material properties of AlN were obtained from the Materials Project database (MP-ID: mp-1700, 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_AlN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08863293
_cell_length_b   3.08863316
_cell_length_c   3.08863425
_cell_angle_alpha   59.99999890
_cell_angle_beta   59.99999642
_cell_angle_gamma   59.99998772
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlN
_chemical_formula_sum   'Al1 N1'
_cell_volume   20.83454669
_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
  Al  Al0  1  0.00000000  0.00000000  0.00000000  1.0
  N  N1  1  0.25000000  0.25000000  0.25000000  1.0
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