AlGaN2

Elasticity Data ELA

MP-ID: mp-1008556 · Space group: P-4m2 (#115)

Materials Project API

Basic Information

Formula

AlGaN2

MP-ID

mp-1008556

Elements

Sites

Density

4.7454

g/cm³

Volume

43.64

Å³

Cell a

3.1409

Cell b

3.1409

Cell c

4.4238

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P-4m2

Point Group

-42m

Crystal System

Tetragonal

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 19)

2θ	d (Å)	I	hkl
20.07	4.4238	17.3	(0,0,1)
28.42	3.1409	17.0	(1,0,0)
35.04	2.5610	100.0	(1,0,1)
40.62	2.2209	17.0	(1,1,0)
40.79	2.2119	8.5	(0,0,2)
45.71	1.9848	10.1	(1,1,1)
50.46	1.8085	7.0	(1,0,2)
58.80	1.5704	14.7	(2,0,0)
58.93	1.5672	29.1	(1,1,2)
62.79	1.4800	3.2	(2,0,1)
63.04	1.4746	1.0	(0,0,3)
66.57	1.4046	2.9	(2,1,0)
70.32	1.3388	24.0	(2,1,1)
70.56	1.3348	11.8	(1,0,3)
74.03	1.2805	6.5	(2,0,2)
77.74	1.2285	1.5	(1,1,3)
81.11	1.1858	3.2	(2,1,2)
87.93	1.1105	4.4	(2,2,0)
88.38	1.1060	2.2	(0,0,4)

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Energy Properties

Formation Energy/atom

-1.16021

eV/atom

Energy/atom

-10.26831

eV/atom

Energy above Hull

0.0147

eV/atom

Uncorrected Energy

-10.2683

eV/atom

Volume/atom

10.91

Å³

c/a Ratio

1.4085

Electronic Properties

Metallic

Non-metal

Band Gap

2.669

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

183.528

GPa

G_VRH

110.883

GPa

Young's Modulus E

276.886

GPa

Poisson Ratio ν

0.249

Pugh Ratio K/G

1.655

Vickers Hardness Est.

14.428

GPa

Ductility

Ductile

Anisotropy

1.074

Lame λ

109.606

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

N · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.0740

Homogeneous Poisson ν

0.2490

Debye Temperature

720.0

Sound Velocity

5,365.6

m/s

Homogeneity

0.2490

Related Tasks

Related computation task IDs (6)

aaacioai aaaclnxd aaadwjer aaaehffj aaaeoiwp aaafxcji

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1008556

Reference Citation

The crystal structure and related material properties of AlGaN2 were obtained from the Materials Project database (MP-ID: mp-1008556, 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

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Raw CIF Data

# generated using pymatgen
data_AlGaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14087705
_cell_length_b   3.14087705
_cell_length_c   4.42383794
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaN2
_chemical_formula_sum   'Al1 Ga1 N2'
_cell_volume   43.64164186
_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  0.50000000  0.50000000  0.50000000  1.0
  Ga  Ga1  1  0.00000000  0.00000000  -0.00000000  1.0
  N  N2  1  0.00000000  0.50000000  0.26173519  1.0
  N  N3  1  0.50000000  0.00000000  0.73826481  1.0

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