Al5O8
Traditional Materials TRAMP-ID: mp-1182893 · Space group: P6_3mc (#186)
Basic Information
Formula
Al5O8
MP-ID
mp-1182893
Elements
2
Sites
26
Density
3.5768
g/cm³
Volume
244.11
ų
Cell a
5.6052
Å
Cell b
5.6052
Å
Cell c
8.9717
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3mc
Point Group
6mm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 18.28 | 4.8542 | 8.7 | (1,0,-1,0) |
| 19.79 | 4.4859 | 44.5 | (0,0,0,2) |
| 20.81 | 4.2694 | 15.4 | (1,0,-1,1) |
| 27.07 | 3.2945 | 86.9 | (1,0,-1,2) |
| 31.93 | 2.8026 | 11.0 | (2,-1,-1,0) |
| 35.25 | 2.5462 | 57.5 | (1,0,-1,3) |
| 37.04 | 2.4271 | 11.5 | (2,0,-2,0) |
| 37.85 | 2.3769 | 73.4 | (2,-1,-1,2) |
| 38.42 | 2.3429 | 44.9 | (2,0,-2,1) |
| 40.21 | 2.2429 | 3.1 | (0,0,0,4) |
| 42.34 | 2.1347 | 100.0 | (2,0,-2,2) |
| 44.50 | 2.0361 | 3.6 | (1,0,-1,4) |
| 48.29 | 1.8846 | 57.1 | (2,0,-2,3) |
| 49.69 | 1.8347 | 1.4 | (3,-1,-2,0) |
| 50.79 | 1.7975 | 1.5 | (3,-1,-2,1) |
| 54.00 | 1.6982 | 5.0 | (3,-2,-1,2) |
| 54.00 | 1.6982 | 10.0 | (3,-1,-2,2) |
| 54.52 | 1.6830 | 4.4 | (1,0,-1,5) |
| 55.81 | 1.6473 | 32.9 | (2,0,-2,4) |
| 56.91 | 1.6181 | 1.7 | (3,0,-3,0) |
| 57.91 | 1.5924 | 2.5 | (3,0,-3,1) |
| 59.07 | 1.5639 | 42.6 | (3,-1,-2,3) |
| 60.86 | 1.5221 | 18.5 | (3,0,-3,2) |
| 62.07 | 1.4953 | 2.2 | (0,0,0,6) |
Energy Properties
Formation Energy/atom
-3.23150
eV/atom
Energy/atom
-7.71701
eV/atom
Energy above Hull
0.0633
eV/atom
Uncorrected Energy
-7.2942
eV/atom
Volume/atom
9.39
ų
c/a Ratio
1.6006
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.0061
μB
Mag. Ordering
FM
Mag. Sites
6
Magnetization/Volume
0.008220
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.615
Element Family
N/A
Solute Fraction
0.385
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.632
Family
Binary Alloy
Matrix Element
O · 0.615
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1182893
Reference Citation
The crystal structure and related material properties of Al5O8 were obtained from the Materials Project database (MP-ID: mp-1182893, 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_Al5O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60519229
_cell_length_b 5.60519229
_cell_length_c 8.97169300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000342
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al5O8
_chemical_formula_sum 'Al10 O16'
_cell_volume 244.11027097
_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 0.83839300 0.16160700 0.86913200 1.0
Al Al1 1 0.83839300 0.67678600 0.86913200 1.0
Al Al2 1 0.32321400 0.16160700 0.86913200 1.0
Al Al3 1 0.16160700 0.83839300 0.36913200 1.0
Al Al4 1 0.16160700 0.32321400 0.36913200 1.0
Al Al5 1 0.67678600 0.83839300 0.36913200 1.0
Al Al6 1 0.33333300 0.66666700 0.64824600 1.0
Al Al7 1 0.66666700 0.33333300 0.14824600 1.0
Al Al8 1 0.66666700 0.33333300 0.55706600 1.0
Al Al9 1 0.33333300 0.66666700 0.05706600 1.0
O O10 1 0.00000000 0.00000000 0.47103200 1.0
O O11 1 0.00000000 0.00000000 0.97103200 1.0
O O12 1 0.48738600 0.51261400 0.49962800 1.0
O O13 1 0.48738600 0.97477100 0.49962800 1.0
O O14 1 0.02522900 0.51261400 0.49962800 1.0
O O15 1 0.51261400 0.48738600 0.99962800 1.0
O O16 1 0.51261400 0.02522900 0.99962800 1.0
O O17 1 0.97477100 0.48738600 0.99962800 1.0
O O18 1 0.65980900 0.82990400 0.75845500 1.0
O O19 1 0.17009600 0.82990400 0.75845500 1.0
O O20 1 0.17009600 0.34019100 0.75845500 1.0
O O21 1 0.34019100 0.17009600 0.25845500 1.0
O O22 1 0.82990400 0.17009600 0.25845500 1.0
O O23 1 0.82990400 0.65980900 0.25845500 1.0
O O24 1 0.66666700 0.33333300 0.76006200 1.0
O O25 1 0.33333300 0.66666700 0.26006200 1.0
