MgSn
Traditional Materials TRAMP-ID: mp-1094800 · Space group: P-6m2 (#187)
Basic Information
Formula
MgSn
MP-ID
mp-1094800
Elements
2
Sites
2
Density
4.9122
g/cm³
Volume
48.35
ų
Cell a
3.4730
Å
Cell b
3.4730
Å
Cell c
4.6284
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 |
|---|---|---|---|
| 19.18 | 4.6284 | 55.4 | (0,0,0,1) |
| 29.70 | 3.0078 | 26.5 | (1,-1,0,0) |
| 29.70 | 3.0076 | 26.5 | (1,0,-1,0) |
| 29.70 | 3.0076 | 26.5 | (0,1,-1,0) |
| 35.60 | 2.5220 | 50.0 | (1,-1,0,1) |
| 35.60 | 2.5219 | 100.0 | (1,0,-1,1) |
| 38.92 | 2.3142 | 22.9 | (0,0,0,2) |
| 49.71 | 1.8341 | 13.2 | (1,-1,0,2) |
| 49.71 | 1.8341 | 26.4 | (1,0,-1,2) |
| 52.71 | 1.7365 | 19.3 | (2,-1,-1,0) |
| 52.72 | 1.7364 | 9.6 | (1,1,-2,0) |
| 56.61 | 1.6258 | 13.8 | (2,-1,-1,1) |
| 56.61 | 1.6258 | 6.9 | (1,1,-2,1) |
| 59.96 | 1.5428 | 2.9 | (0,0,0,3) |
| 61.68 | 1.5039 | 3.5 | (2,-2,0,0) |
| 61.68 | 1.5038 | 7.1 | (2,0,-2,0) |
| 65.23 | 1.4303 | 8.9 | (2,-2,0,1) |
| 65.24 | 1.4302 | 17.8 | (2,0,-2,1) |
| 67.43 | 1.3890 | 18.7 | (2,-1,-1,2) |
| 67.43 | 1.3889 | 9.4 | (1,1,-2,2) |
| 68.33 | 1.3728 | 7.8 | (1,-1,0,3) |
| 68.33 | 1.3727 | 7.8 | (1,0,-1,3) |
| 68.33 | 1.3727 | 7.8 | (0,1,-1,3) |
| 75.37 | 1.2610 | 4.1 | (2,-2,0,2) |
Energy Properties
Formation Energy/atom
-0.06335
eV/atom
Energy/atom
-2.88337
eV/atom
Energy above Hull
0.0620
eV/atom
Uncorrected Energy
-14.4733
eV/atom
Volume/atom
24.17
ų
c/a Ratio
1.3327
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 · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.793
Family
Mg-based Alloy
Matrix Element
Mg · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1094800
Reference Citation
The crystal structure and related material properties of MgSn were obtained from the Materials Project database (MP-ID: mp-1094800, 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_MgSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47299024
_cell_length_b 3.47299017
_cell_length_c 4.62842661
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00378697
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgSn
_chemical_formula_sum 'Mg1 Sn1'
_cell_volume 48.34533302
_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 0.00000750 -0.00000749 -0.00000000 1.0
Sn Sn1 1 0.66665950 0.33334049 0.50000000 1.0
