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SrCuSn2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30598 · Space group: Cmcm (#63)

Basic Information

Formula
SrCuSn2
MP-ID
mp-30598
Elements
3
Sites
8
Density
6.3250
g/cm³
Volume
204.04
ų
Cell a
4.5525
Å
Cell b
4.6253
Å
Cell c
9.9621
Å
α Angle
103.42
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Cmcm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic C
Stability
Yes
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
9.13 9.6899 8.5 (0,0,1)
18.31 4.8450 6.6 (0,0,2)
19.73 4.4990 12.1 (0,1,0)
21.57 4.1204 1.6 (1,0,1)
23.66 3.7607 3.5 (0,1,1)
27.62 3.2300 5.8 (0,0,3)
27.88 3.2000 1.5 (1,1,0)
30.08 2.9708 18.5 (0,1,2)
30.84 2.8994 100.0 (1,1,1)
34.03 2.6343 23.1 (1,0,3)
36.10 2.4879 2.3 (1,1,2)
36.10 2.4879 2.3 (1,1,-3)
38.94 2.3127 28.0 (0,2,-1)
39.59 2.2762 26.8 (2,0,0)
42.26 2.1386 11.8 (1,0,4)
42.94 2.1060 25.3 (1,1,3)
43.35 2.0871 1.6 (0,2,1)
43.95 2.0602 1.6 (2,0,2)
44.61 2.0311 3.1 (2,1,0)
46.52 1.9521 11.8 (0,1,4)
46.64 1.9473 1.3 (2,1,1)
46.88 1.9380 2.5 (0,0,5)
48.41 1.8804 1.3 (0,2,2)
48.41 1.8804 1.3 (0,2,-4)
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Energy Properties

Formation Energy/atom
-0.42304
eV/atom
Energy/atom
-3.87574
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-19.3270
eV/atom
Volume/atom
25.50
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
47.714
GPa
GVRH
24.239
GPa
Young's Modulus E
62.187
GPa
Poisson Ratio ν
0.283
Pugh Ratio K/G
1.968
Vickers Hardness Est.
2.846
GPa
Ductility
Brittle
Anisotropy
0.384
Lame λ
31.555
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0397
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6442
J/mol·K
Ω Parameter
1.8467
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.681%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4294
smaller = more stable mixing
VEC
5.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9464
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.634
Family
Sn-rich Multi-Component
Matrix Element
Sn · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.3840
Homogeneous Poisson ν
0.2830
Debye Temperature
240.2
K
Sound Velocity
2,181.9
m/s
Homogeneity
0.2830

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-30598
Reference Citation

The crystal structure and related material properties of SrCuSn2 were obtained from the Materials Project database (MP-ID: mp-30598, 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_SrCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55246154
_cell_length_b   4.62532176
_cell_length_c   9.96209072
_cell_angle_alpha   103.42345388
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuSn2
_chemical_formula_sum   'Sr2 Cu2 Sn4'
_cell_volume   204.03709377
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.75000000  0.39192590  0.78385281  1.0
  Sr  Sr1  1  0.25000000  0.60807410  0.21614719  1.0
  Cu  Cu2  1  0.75000000  0.17586020  0.35171940  1.0
  Cu  Cu3  1  0.25000000  0.82413980  0.64828060  1.0
  Sn  Sn4  1  0.25000000  0.24962574  0.49924949  1.0
  Sn  Sn5  1  0.25000000  0.95668231  0.91336462  1.0
  Sn  Sn6  1  0.75000000  0.75037426  0.50075051  1.0
  Sn  Sn7  1  0.75000000  0.04331769  0.08663538  1.0
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