AlBO3

Elasticity Data ELA

MP-ID: mp-8110 · Space group: R-3c (#167)

Materials Project API

Basic Information

Formula

AlBO3

MP-ID

mp-8110

Elements

Sites

Density

3.4972

g/cm³

Volume

81.47

Å³

Cell a

5.3144

Cell b

5.3144

Cell c

5.3144

α Angle

50.16

β Angle

50.16

γ Angle

50.16

Space Group

R-3c

Point Group

-3m

Crystal System

Trigonal

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 24)

2θ	d (Å)	I	hkl
26.19	3.4025	23.0	(1,1,0)
34.56	2.5953	100.0	(2,1,1)
38.87	2.3172	12.9	(2,2,2)
40.02	2.2527	1.7	(1,-1,0)
40.02	2.2527	3.4	(1,0,-1)
44.73	2.0261	91.0	(2,1,0)
48.46	1.8784	17.4	(2,0,0)
53.89	1.7013	12.1	(2,2,0)
57.02	1.6152	46.6	(3,2,1)
58.11	1.5875	19.0	(3,3,2)
63.43	1.4665	1.2	(2,0,-1)
64.60	1.4427	10.5	(2,1,-1)
69.20	1.3576	15.2	(3,1,0)
72.12	1.3096	2.0	(4,3,3)
72.56	1.3029	1.1	(3,2,0)
72.70	1.3006	20.8	(2,-1,-1)
72.70	1.3006	10.4	(1,1,-2)
72.89	1.2977	5.2	(4,2,2)
74.47	1.2740	11.9	(4,3,2)
83.43	1.1586	7.3	(4,4,4)
85.83	1.1322	2.9	(4,4,2)
86.56	1.1245	8.5	(4,3,1)
89.55	1.0945	1.8	(3,-1,1)
89.55	1.0945	3.6	(3,1,-1)

Get direct link

Energy Properties

Formation Energy/atom

-3.11836

eV/atom

Energy/atom

-8.17213

eV/atom

Energy above Hull

0.0329

eV/atom

Uncorrected Energy

-7.7599

eV/atom

Volume/atom

8.15

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

5.839

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0002

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

202.440

GPa

G_VRH

121.355

GPa

Young's Modulus E

303.433

GPa

Poisson Ratio ν

0.250

Pugh Ratio K/G

1.668

Vickers Hardness Est.

15.205

GPa

Ductility

Ductile

Anisotropy

0.783

Lame λ

121.537

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.200

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.7830

Homogeneous Poisson ν

0.2500

Debye Temperature

1,271.4

Sound Velocity

6,539.9

m/s

Homogeneity

0.2500

Related Tasks

Related computation task IDs (5)

aaadmuet aaadyjvv aaaenaiu aaaezrbj aaafjkhf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-8110

Reference Citation

The crystal structure and related material properties of AlBO3 were obtained from the Materials Project database (MP-ID: mp-8110, 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_AlBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31443590
_cell_length_b   5.31443590
_cell_length_c   5.31443592
_cell_angle_alpha   50.16091164
_cell_angle_beta   50.16091164
_cell_angle_gamma   50.16091429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBO3
_chemical_formula_sum   'Al2 B2 O6'
_cell_volume   81.46986382
_cell_formula_units_Z   2
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
  Al  Al1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.75000000  0.75000000  0.75000000  1.0
  B  B3  1  0.25000000  0.25000000  0.25000000  1.0
  O  O4  1  0.05790400  0.75000000  0.44209600  1.0
  O  O5  1  0.75000000  0.44209600  0.05790400  1.0
  O  O6  1  0.55790400  0.94209600  0.25000000  1.0
  O  O7  1  0.94209600  0.25000000  0.55790400  1.0
  O  O8  1  0.25000000  0.55790400  0.94209600  1.0
  O  O9  1  0.44209600  0.05790400  0.75000000  1.0

Get direct link