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Mg5Sn

Traditional Materials TRA

MP-ID: mp-1094539 · Space group: Cm (#8)

Basic Information

Formula
Mg5Sn
MP-ID
mp-1094539
Elements
2
Sites
6
Density
2.8542
g/cm³
Volume
139.76
ų
Cell a
6.1830
Å
Cell b
6.1830
Å
Cell c
7.1567
Å
α Angle
76.76
°
β Angle
76.76
°
γ Angle
31.73
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
12.74 6.9510 100.0 (0,0,1)
15.34 5.7764 63.3 (1,1,0)
17.47 5.0761 49.0 (1,1,1)
22.23 3.9993 29.0 (1,1,-1)
25.63 3.4755 19.7 (0,0,2)
26.60 3.3512 19.2 (1,1,2)
27.49 3.2448 34.1 (1,0,0)
29.59 3.0186 27.6 (1,0,1)
30.56 2.9253 13.4 (2,2,1)
30.96 2.8882 12.1 (2,2,0)
31.19 2.8676 59.8 (1,0,-1)
33.09 2.7070 28.3 (1,1,-2)
35.33 2.5407 98.0 (2,1,0)
35.37 2.5381 61.5 (2,2,2)
35.67 2.5171 18.4 (2,1,1)
36.42 2.4672 43.5 (2,2,-1)
36.60 2.4551 90.1 (1,0,2)
38.26 2.3526 6.8 (1,1,3)
38.87 2.3170 35.8 (0,0,3)
39.23 2.2964 13.9 (1,0,-2)
39.64 2.2739 14.1 (2,1,-1)
40.56 2.2242 12.4 (2,1,2)
43.89 2.0628 5.2 (2,2,3)
45.35 1.9996 4.7 (2,2,-2)
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Energy Properties

Formation Energy/atom
0.03108
eV/atom
Energy/atom
-1.99591
eV/atom
Energy above Hull
0.1146
eV/atom
Uncorrected Energy
-1.9959
eV/atom
Volume/atom
23.29
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0049
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000040
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.833
Element Family
N/A
Solute Fraction
0.167
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.846
Family
Mg-based Alloy
Matrix Element
Mg · 0.833

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1094539
Reference Citation

The crystal structure and related material properties of Mg5Sn were obtained from the Materials Project database (MP-ID: mp-1094539, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Mg5Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18296444
_cell_length_b   6.18296444
_cell_length_c   7.15671009
_cell_angle_alpha   76.76357648
_cell_angle_beta   76.76357648
_cell_angle_gamma   31.73324976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Sn
_chemical_formula_sum   'Mg5 Sn1'
_cell_volume   139.76472327
_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  0.99710100  0.99710100  0.00474100  1.0
  Mg  Mg1  1  0.33132200  0.33132200  0.33460900  1.0
  Mg  Mg2  1  0.94565700  0.94565700  0.60473800  1.0
  Mg  Mg3  1  0.66890500  0.66890500  0.66911500  1.0
  Mg  Mg4  1  0.27973200  0.27973200  0.94278600  1.0
  Sn  Sn5  1  0.61061700  0.61061700  0.27734400  1.0
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