Mg7Zn
Traditional Materials TRAMP-ID: mp-1016279 · Space group: P-6m2 (#187)
Basic Information
Formula
Mg7Zn
MP-ID
mp-1016279
Elements
2
Sites
8
Density
2.3221
g/cm³
Volume
168.44
ų
Cell a
6.2800
Å
Cell b
6.2800
Å
Cell c
4.9316
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.30 | 5.4387 | 9.5 | (1,-1,0,0) |
| 16.30 | 5.4387 | 19.1 | (1,0,-1,0) |
| 17.99 | 4.9316 | 6.8 | (0,0,0,1) |
| 24.36 | 3.6533 | 6.1 | (1,-1,0,1) |
| 24.36 | 3.6533 | 12.1 | (1,0,-1,1) |
| 28.42 | 3.1400 | 4.7 | (2,-1,-1,0) |
| 28.42 | 3.1400 | 2.4 | (1,1,-2,0) |
| 32.94 | 2.7193 | 13.3 | (2,-2,0,0) |
| 32.94 | 2.7193 | 26.6 | (2,0,-2,0) |
| 33.84 | 2.6487 | 5.9 | (2,-1,-1,1) |
| 33.84 | 2.6487 | 2.9 | (1,1,-2,1) |
| 36.44 | 2.4658 | 36.6 | (0,0,0,2) |
| 37.78 | 2.3813 | 50.0 | (2,-2,0,1) |
| 37.78 | 2.3813 | 100.0 | (2,0,-2,1) |
| 40.15 | 2.2458 | 2.1 | (1,-1,0,2) |
| 40.15 | 2.2458 | 4.1 | (1,0,-1,2) |
| 44.05 | 2.0556 | 1.1 | (3,-2,-1,0) |
| 44.05 | 2.0556 | 1.1 | (3,-1,-2,0) |
| 44.05 | 2.0556 | 1.1 | (2,1,-3,0) |
| 46.85 | 1.9393 | 2.4 | (2,-1,-1,2) |
| 46.85 | 1.9393 | 1.2 | (1,1,-2,2) |
| 47.95 | 1.8974 | 2.7 | (3,-2,-1,1) |
| 47.95 | 1.8974 | 2.7 | (3,-1,-2,1) |
| 47.95 | 1.8974 | 2.7 | (2,1,-3,1) |
Energy Properties
Formation Energy/atom
0.02745
eV/atom
Energy/atom
-1.55668
eV/atom
Energy above Hull
0.0540
eV/atom
Uncorrected Energy
-4.7531
eV/atom
Volume/atom
21.05
ų
c/a Ratio
0.7853
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
0.871
Family
Mg-based Alloy
Matrix Element
Mg · 0.875
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1016279
Reference Citation
The crystal structure and related material properties of Mg7Zn were obtained from the Materials Project database (MP-ID: mp-1016279, 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_Mg7Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.28003875
_cell_length_b 6.28003875
_cell_length_c 4.93159268
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00014786
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg7Zn
_chemical_formula_sum 'Mg7 Zn1'
_cell_volume 168.43868087
_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 0.99951046 0.49975573 0.50000000 1.0
Mg Mg1 1 0.50024527 0.49975473 0.50000000 1.0
Mg Mg2 1 0.50024427 0.00048954 0.50000000 1.0
Mg Mg3 1 0.16212370 0.32424640 0.00000000 1.0
Mg Mg4 1 0.16212270 0.83787730 -0.00000000 1.0
Mg Mg5 1 0.67575360 0.83787630 0.00000000 1.0
Mg Mg6 1 0.66666700 0.33333300 -0.00000000 1.0
Zn Zn7 1 -0.00000000 0.00000000 0.50000000 1.0
