Mg7Sn
传统材料 TRAMP-ID: mp-1016305 · Space group: P-6m2 (#187)
Basic Information
Formula
Mg7Sn
MP-ID
mp-1016305
Elements
2
Sites
8
Density
2.6792
g/cm³
Volume
179.02
ų
Cell a
6.3772
Å
Cell b
6.3772
Å
Cell c
5.0830
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 |
|---|---|---|---|
| 16.05 | 5.5228 | 23.3 | (1,-1,0,0) |
| 16.05 | 5.5228 | 46.6 | (1,0,-1,0) |
| 17.45 | 5.0830 | 20.1 | (0,0,0,1) |
| 23.79 | 3.7401 | 61.5 | (1,0,-1,1) |
| 27.98 | 3.1886 | 20.1 | (2,-1,-1,0) |
| 32.42 | 2.7614 | 15.1 | (2,-2,0,0) |
| 32.42 | 2.7614 | 30.2 | (2,0,-2,0) |
| 33.17 | 2.7011 | 17.4 | (2,-1,-1,1) |
| 33.17 | 2.7011 | 8.7 | (1,1,-2,1) |
| 35.32 | 2.5415 | 36.8 | (0,0,0,2) |
| 37.05 | 2.4265 | 50.0 | (2,-2,0,1) |
| 37.05 | 2.4265 | 100.0 | (2,0,-2,1) |
| 39.01 | 2.3088 | 16.5 | (1,0,-1,2) |
| 43.35 | 2.0874 | 9.2 | (3,-1,-2,0) |
| 43.35 | 2.0874 | 4.6 | (2,1,-3,0) |
| 45.65 | 1.9874 | 7.4 | (2,-1,-1,2) |
| 45.65 | 1.9874 | 3.7 | (1,1,-2,2) |
| 47.06 | 1.9309 | 12.8 | (3,-1,-2,1) |
| 47.06 | 1.9309 | 6.4 | (2,1,-3,1) |
| 48.69 | 1.8700 | 9.6 | (2,-2,0,2) |
| 48.69 | 1.8700 | 19.3 | (2,0,-2,2) |
| 49.51 | 1.8409 | 1.5 | (3,-3,0,0) |
| 49.51 | 1.8409 | 3.0 | (3,0,-3,0) |
| 52.90 | 1.7309 | 2.5 | (3,-3,0,1) |
Energy Properties
Formation Energy/atom
-0.01596
eV/atom
Energy/atom
-1.94381
eV/atom
Energy above Hull
0.0467
eV/atom
Uncorrected Energy
-6.7769
eV/atom
Volume/atom
22.38
ų
c/a Ratio
0.7971
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
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.875
Element Family
N/A
Solute Fraction
0.125
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.876
Family
Mg-based Alloy
Matrix Element
Mg · 0.875
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1016305
Reference Citation
The crystal structure and related material properties of Mg7Sn were obtained from the Materials Project database (MP-ID: mp-1016305, 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_Mg7Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37716349
_cell_length_b 6.37716349
_cell_length_c 5.08304243
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00002064
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg7Sn
_chemical_formula_sum 'Mg7 Sn1'
_cell_volume 179.02322577
_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 0.83296174 0.66592249 -0.00000000 1.0
Mg Mg1 1 0.83296174 0.16703826 -0.00000000 1.0
Mg Mg2 1 0.33407751 0.16703826 -0.00000000 1.0
Mg Mg3 1 0.67258526 0.83629163 0.50000000 1.0
Mg Mg4 1 0.16370837 0.83629163 0.50000000 1.0
Mg Mg5 1 0.16370837 0.32741474 0.50000000 1.0
Mg Mg6 1 0.66666700 0.33333300 0.50000000 1.0
Sn Sn7 1 0.33333300 0.66666700 -0.00000000 1.0
