AlBN2

弹性数据 ELA

MP-ID: mp-1008557 · Space group: P-4m2 (#115)

Materials Project API

Basic Information

Formula

AlBN2

MP-ID

mp-1008557

Elements

Sites

Density

3.3297

g/cm³

Volume

32.82

Å³

Cell a

2.8144

Cell b

2.8144

Cell c

4.1432

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 15)

2θ	d (Å)	I	hkl
21.45	4.1432	7.2	(0,0,1)
31.80	2.8144	16.4	(1,0,0)
38.68	2.3281	100.0	(1,0,1)
43.70	2.0716	1.5	(0,0,2)
45.58	1.9901	1.6	(1,1,0)
50.90	1.7939	15.9	(1,1,1)
55.04	1.6684	9.9	(1,0,2)
64.98	1.4352	30.0	(1,1,2)
66.44	1.4072	15.3	(2,0,0)
67.86	1.3811	2.9	(0,0,3)
70.70	1.3324	2.2	(2,0,1)
75.54	1.2586	3.0	(2,1,0)
76.89	1.2398	9.2	(1,0,3)
79.61	1.2043	18.5	(2,1,1)
82.95	1.1640	1.8	(2,0,2)

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Energy Properties

Formation Energy/atom

-1.16168

eV/atom

Energy/atom

-9.24567

eV/atom

Energy above Hull

0.3846

eV/atom

Uncorrected Energy

-7.7322

eV/atom

Volume/atom

8.20

Å³

c/a Ratio

1.4721

Electronic Properties

Metallic

Non-metal

Band Gap

3.054

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

257.912

GPa

G_VRH

177.148

GPa

Young's Modulus E

432.437

GPa

Poisson Ratio ν

0.221

Pugh Ratio K/G

1.456

Vickers Hardness Est.

23.634

GPa

Ductility

Ductile

Anisotropy

0.524

Lame λ

139.813

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

N · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.750

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.5240

Homogeneous Poisson ν

0.2210

Debye Temperature

1,191.0

Sound Velocity

8,070.5

m/s

Homogeneity

0.2210

Related Tasks

Related computation task IDs (5)

aaacitsz aaadbvgi aaaduqzo aaaeogas aaafiulg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1008557

Reference Citation

The crystal structure and related material properties of AlBN2 were obtained from the Materials Project database (MP-ID: mp-1008557, 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_AlBN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81439600
_cell_length_b   2.81439600
_cell_length_c   4.14320400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBN2
_chemical_formula_sum   'Al1 B1 N2'
_cell_volume   32.81759318
_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
  B  B1  1  0.00000000  0.00000000  0.00000000  1.0
  N  N2  1  0.50000000  0.00000000  0.78995100  1.0
  N  N3  1  0.00000000  0.50000000  0.21004900  1.0

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