CuSnRh2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30595 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

CuSnRh2

MP-ID

mp-30595

Elements

Sites

Density

11.0182

g/cm³

Volume

58.49

Å³

Cell a

4.3570

Cell b

4.3570

Cell c

4.3570

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 8)

2θ	d (Å)	I	hkl
25.03	3.5575	2.4	(0,1,0)
25.03	3.5575	2.4	(1,0,0)
41.45	2.1785	20.0	(1,2,1)
41.45	2.1785	100.0	(1,0,-1)
49.03	1.8578	2.8	(2,1,0)
60.06	1.5404	19.8	(2,2,0)
75.60	1.2578	20.0	(1,3,0)
75.60	1.2578	20.0	(3,1,0)

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Energy Properties

Formation Energy/atom

-0.34842

eV/atom

Energy/atom

-6.05777

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.3248

eV/atom

Volume/atom

14.62

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

177.039

GPa

G_VRH

63.304

GPa

Young's Modulus E

169.687

GPa

Poisson Ratio ν

0.340

Pugh Ratio K/G

2.797

Vickers Hardness Est.

3.797

GPa

Ductility

Brittle

Anisotropy

1.497

Lame λ

134.836

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.500

Element Family

4d-TM

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

2.3955

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

6.277%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1763

smaller = more stable mixing

VEC

8.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.717

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.509

Family

Rh-rich Multi-Component

Matrix Element

Rh · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.4970

Homogeneous Poisson ν

0.3400

Debye Temperature

327.6

Sound Velocity

2,691.4

m/s

Homogeneity

0.3400

Related Tasks

Related computation task IDs (5)

aaadmmkv aaadsvez aaaehkba aaaeqpui aaafwxhe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30595

Reference Citation

The crystal structure and related material properties of CuSnRh2 were obtained from the Materials Project database (MP-ID: mp-30595, 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_CuSnRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35699402
_cell_length_b   4.35699448
_cell_length_c   4.35699402
_cell_angle_alpha   59.99999572
_cell_angle_beta   59.99999225
_cell_angle_gamma   59.99999826
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnRh2
_chemical_formula_sum   'Cu1 Sn1 Rh2'
_cell_volume   58.48518848
_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
  Cu  Cu0  1  -0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn1  1  0.50000000  0.50000000  0.50000000  1.0
  Rh  Rh2  1  0.25000000  0.25000000  0.25000000  1.0
  Rh  Rh3  1  0.75000000  0.75000000  0.75000000  1.0

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