Mg7Al
Traditional Materials TRAMP-ID: mp-1016271 · Space group: P-6m2 (#187)
Basic Information
Formula
Mg7Al
MP-ID
mp-1016271
Elements
2
Sites
8
Density
1.9022
g/cm³
Volume
172.07
ų
Cell a
6.2712
Å
Cell b
6.2712
Å
Cell c
5.0522
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
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 22)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 32.99 | 2.7155 | 12.1 | (2,-2,0,0) |
| 32.99 | 2.7155 | 24.1 | (2,0,-2,0) |
| 35.54 | 2.5261 | 39.2 | (0,0,0,2) |
| 37.60 | 2.3919 | 50.0 | (2,-2,0,1) |
| 37.60 | 2.3919 | 100.0 | (2,0,-2,1) |
| 49.27 | 1.8496 | 7.5 | (2,-2,0,2) |
| 49.27 | 1.8496 | 14.9 | (2,0,-2,2) |
| 58.91 | 1.5678 | 17.0 | (4,-2,-2,0) |
| 58.91 | 1.5678 | 8.5 | (2,2,-4,0) |
| 65.18 | 1.4312 | 9.3 | (2,-2,0,3) |
| 65.18 | 1.4312 | 18.5 | (2,0,-2,3) |
| 69.19 | 1.3578 | 1.3 | (4,-4,0,0) |
| 69.19 | 1.3578 | 2.6 | (4,0,-4,0) |
| 70.72 | 1.3321 | 19.0 | (4,-2,-2,2) |
| 70.72 | 1.3321 | 9.5 | (2,2,-4,2) |
| 72.02 | 1.3112 | 6.7 | (4,-4,0,1) |
| 72.02 | 1.3112 | 13.5 | (4,0,-4,1) |
| 75.23 | 1.2631 | 3.9 | (0,0,0,4) |
| 80.27 | 1.1960 | 1.6 | (4,-4,0,2) |
| 80.27 | 1.1960 | 3.2 | (4,0,-4,2) |
| 84.62 | 1.1452 | 1.4 | (2,-2,0,4) |
| 84.62 | 1.1452 | 2.8 | (2,0,-2,4) |
Energy Properties
Formation Energy/atom
0.04123
eV/atom
Energy/atom
-1.85363
eV/atom
Energy above Hull
0.0440
eV/atom
Uncorrected Energy
-4.4647
eV/atom
Volume/atom
21.51
ų
c/a Ratio
0.8056
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
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.875
Element Family
N/A
Solute Fraction
0.125
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.878
Family
Mg-based Alloy
Matrix Element
Mg · 0.875
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1016271
Reference Citation
The crystal structure and related material properties of Mg7Al were obtained from the Materials Project database (MP-ID: mp-1016271, 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_Mg7Al
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27124172
_cell_length_b 6.27124165
_cell_length_c 5.05218912
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00012401
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg7Al
_chemical_formula_sum 'Mg7 Al1'
_cell_volume 172.07459840
_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
Mg Mg0 1 0.16627446 0.83313773 0.25000000 1.0
Mg Mg1 1 0.66686227 0.33372554 0.25000000 1.0
Mg Mg2 1 0.66686227 0.83313773 0.25000000 1.0
Mg Mg3 1 0.33159639 0.16840361 0.75000000 1.0
Mg Mg4 1 0.33159639 0.66319378 0.75000000 1.0
Mg Mg5 1 0.83680622 0.16840361 0.75000000 1.0
Mg Mg6 1 0.83333300 0.66666700 0.75000000 1.0
Al Al7 1 0.16666700 0.33333300 0.25000000 1.0
