Al
传统材料 TRAMP-ID: mp-998860 · Space group: Im-3m (#229)
Basic Information
Formula
Al
MP-ID
mp-998860
Elements
1
Sites
1
Density
2.7801
g/cm³
Volume
16.12
ų
Cell a
2.7561
Å
Cell b
2.7561
Å
Cell c
2.7561
Å
α Angle
109.47
°
β Angle
109.47
°
γ Angle
109.47
°
Space Group
Im-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cI
Stability
No
Packing Fraction
0.6802
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 4)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 40.07 | 2.2503 | 100.0 | (1,0,0) |
| 57.96 | 1.5912 | 16.6 | (1,1,-1) |
| 72.79 | 1.2992 | 33.5 | (1,1,0) |
| 86.50 | 1.1252 | 10.5 | (2,0,0) |
Energy Properties
Formation Energy/atom
0.10340
eV/atom
Energy/atom
-6.62870
eV/atom
Energy above Hull
0.1034
eV/atom
Uncorrected Energy
-6.6287
eV/atom
Volume/atom
16.12
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
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
70.361
GPa
GVRH
48.263
GPa
Young's Modulus E
117.844
GPa
Poisson Ratio ν
0.221
Pugh Ratio K/G
1.458
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
-5.032
Lame λ
38.186
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 1.000
Element Family
N/A
Solute Fraction
0.000
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.714
Family
Pure Metal
Matrix Element
Al · 1.000
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-998860
Reference Citation
The crystal structure and related material properties of Al were obtained from the Materials Project database (MP-ID: mp-998860, 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_Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.75607162
_cell_length_b 2.75607162
_cell_length_c 2.75607162
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al
_chemical_formula_sum Al1
_cell_volume 16.11571599
_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
