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MgCuSn

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-11361 · Space group: F-43m (#216)

Basic Information

Formula
MgCuSn
MP-ID
mp-11361
Elements
3
Sites
3
Density
5.8075
g/cm³
Volume
59.06
ų
Cell a
4.3713
Å
Cell b
4.3713
Å
Cell c
4.3713
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
Cubic F
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 20)
2θd (Å)Ihkl
24.95 3.5691 66.8 (0,1,0)
24.95 3.5691 22.3 (1,0,0)
28.89 3.0910 20.0 (1,1,0)
41.31 2.1856 20.0 (1,1,2)
41.31 2.1856 100.0 (1,0,-1)
48.86 1.8639 14.8 (1,0,2)
48.86 1.8639 29.7 (1,1,-1)
51.19 1.7846 4.5 (0,2,0)
51.19 1.7846 1.5 (2,0,0)
59.84 1.5455 19.8 (2,2,0)
65.86 1.4182 3.1 (1,1,3)
65.86 1.4182 15.4 (2,0,-1)
67.79 1.3823 4.3 (3,1,2)
67.79 1.3823 4.3 (2,1,-1)
75.31 1.2619 36.9 (3,0,1)
75.31 1.2619 3.4 (3,1,0)
80.78 1.1897 12.6 (3,0,2)
80.78 1.1897 1.8 (3,2,0)
89.73 1.0928 2.2 (2,2,4)
89.73 1.0928 11.2 (2,0,-2)
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Energy Properties

Formation Energy/atom
-0.16742
eV/atom
Energy/atom
-3.41384
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-13.4402
eV/atom
Volume/atom
19.69
ų
c/a Ratio
-

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

KVRH
78.290
GPa
GVRH
38.370
GPa
Young's Modulus E
98.946
GPa
Poisson Ratio ν
0.289
Pugh Ratio K/G
2.040
Vickers Hardness Est.
4.333
GPa
Ductility
Brittle
Anisotropy
0.010
Lame λ
52.710
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.333
Element Family
Alkali-AlkEarth
Solute Fraction
0.667
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
0.5614
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
9.208%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2933
smaller = more stable mixing
VEC
5.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-15.111
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.595
Family
Mg-rich Multi-Component
Matrix Element
Mg · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.0100
Homogeneous Poisson ν
0.2890
Debye Temperature
316.0
K
Sound Velocity
2,867.3
m/s
Homogeneity
0.2890

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-11361
Reference Citation

The crystal structure and related material properties of MgCuSn were obtained from the Materials Project database (MP-ID: mp-11361, 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_MgCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37128077
_cell_length_b   4.37128087
_cell_length_c   4.37128116
_cell_angle_alpha   59.99999782
_cell_angle_beta   59.99999704
_cell_angle_gamma   59.99999876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuSn
_chemical_formula_sum   'Mg1 Cu1 Sn1'
_cell_volume   59.06240633
_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  0.25000000  0.25000000  0.25000000  1.0
  Cu  Cu1  1  -0.00000000  -0.00000000  0.00000000  1.0
  Sn  Sn2  1  0.75000000  0.75000000  0.75000000  1.0
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