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Tm3(CuSn)4

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1095591 · Space group: C2/m (#12)

Basic Information

Formula
Tm3(CuSn)4
MP-ID
mp-1095591
Elements
3
Sites
11
Density
9.3497
g/cm³
Volume
219.49
ų
Cell a
4.3891
Å
Cell b
6.8900
Å
Cell c
8.2871
Å
α Angle
113.80
°
β Angle
105.36
°
γ Angle
90.00
°
Space Group
C2/m
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic 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
14.31 6.1906 1.6 (0,1,-1)
21.15 4.2012 3.0 (1,0,0)
22.30 3.9858 4.2 (0,1,1)
22.60 3.9339 2.5 (0,1,-2)
24.53 3.6290 3.5 (0,0,2)
25.86 3.4447 19.7 (0,2,-1)
26.96 3.3076 6.6 (1,1,0)
27.44 3.2509 12.1 (1,0,1)
28.53 3.1289 3.1 (0,2,0)
28.84 3.0953 4.1 (0,2,-2)
33.32 2.6888 16.1 (0,1,2)
33.58 2.6690 96.2 (1,2,-1)
33.67 2.6621 43.9 (0,1,-3)
33.71 2.6585 97.4 (1,-2,1)
34.48 2.6012 100.0 (1,1,1)
34.75 2.5818 98.0 (1,-1,2)
35.69 2.5159 1.1 (0,2,1)
36.20 2.4812 1.4 (0,2,-3)
37.13 2.4214 6.1 (1,0,2)
37.16 2.4193 26.6 (0,0,3)
37.88 2.3754 17.1 (1,2,0)
39.65 2.2731 3.3 (0,3,-1)
41.13 2.1945 82.9 (2,0,-1)
43.38 2.0859 22.0 (0,3,0)
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Energy Properties

Formation Energy/atom
-0.47123
eV/atom
Energy/atom
-4.64238
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.0471
eV/atom
Volume/atom
19.95
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
85.104
GPa
GVRH
48.429
GPa
Young's Modulus E
122.122
GPa
Poisson Ratio ν
0.261
Pugh Ratio K/G
1.757
Vickers Hardness Est.
7.008
GPa
Ductility
Brittle
Anisotropy
0.175
Lame λ
52.818
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.364
Element Family
3d-TM
Solute Fraction
0.636
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0901
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.0628
J/mol·K
Ω Parameter
2.5130
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.471%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3039
smaller = more stable mixing
VEC
9.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.231
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9922
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.574
Family
Cu-rich Multi-Component
Matrix Element
Cu · 0.364

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
0.1750
Homogeneous Poisson ν
0.2610
Debye Temperature
331.0
K
Sound Velocity
2,529.9
m/s
Homogeneity
0.2610

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1095591
Reference Citation

The crystal structure and related material properties of Tm3(CuSn)4 were obtained from the Materials Project database (MP-ID: mp-1095591, 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_Tm3(CuSn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38905962
_cell_length_b   6.89002413
_cell_length_c   8.28707496
_cell_angle_alpha   113.79762384
_cell_angle_beta   105.35587471
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3(CuSn)4
_chemical_formula_sum   'Tm3 Cu4 Sn4'
_cell_volume   219.48604457
_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
  Tm  Tm0  1  -0.00000000  0.50000000  -0.00000000  1.0
  Tm  Tm1  1  0.86957836  0.85626639  0.73915671  1.0
  Tm  Tm2  1  0.13042164  0.14373361  0.26084329  1.0
  Cu  Cu3  1  0.68443026  0.87859165  0.36886053  1.0
  Cu  Cu4  1  0.31556974  0.12140835  0.63113947  1.0
  Cu  Cu5  1  0.65919622  0.47841199  0.31838944  1.0
  Cu  Cu6  1  0.34080378  0.52158801  0.68161056  1.0
  Sn  Sn7  1  0.78275180  0.30033840  0.56550261  1.0
  Sn  Sn8  1  0.21724820  0.69966160  0.43449739  1.0
  Sn  Sn9  1  0.48998080  0.19366203  0.97995959  1.0
  Sn  Sn10  1  0.51001920  0.80633797  0.02004041  1.0
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