Yb2CuRh

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-865854 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Yb2CuRh

MP-ID

mp-865854

Elements

Sites

Density

11.2243

g/cm³

Volume

75.82

Å³

Cell a

4.7509

Cell b

4.7509

Cell c

4.7509

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

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 9)

2θ	d (Å)	I	hkl
22.93	3.8791	1.3	(1,1,1)
26.53	3.3594	12.8	(1,1,0)
37.88	2.3754	100.0	(2,1,1)
46.84	1.9395	3.9	(2,2,2)
54.64	1.6797	17.2	(2,2,0)
61.75	1.5024	5.4	(3,2,1)
68.40	1.3715	34.7	(3,3,2)
80.94	1.1877	10.9	(4,2,2)
87.01	1.1198	2.9	(4,3,3)

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Energy Properties

Formation Energy/atom

-0.68513

eV/atom

Energy/atom

-27.69558

eV/atom

Energy above Hull

0.0179

eV/atom

Uncorrected Energy

-27.6956

eV/atom

Volume/atom

18.96

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

54.848

GPa

G_VRH

25.194

GPa

Young's Modulus E

65.546

GPa

Poisson Ratio ν

0.301

Pugh Ratio K/G

2.177

Vickers Hardness Est.

2.315

GPa

Ductility

Brittle

Anisotropy

0.706

Lame λ

38.052

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Yb · 0.500

Element Family

Lanthanide

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

3.5744

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.446%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5129

smaller = more stable mixing

VEC

12.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.497

Family

Yb-rich Multi-Component

Matrix Element

Yb · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.7060

Homogeneous Poisson ν

0.3010

Debye Temperature

271.8

Sound Velocity

1,673.6

m/s

Homogeneity

0.3010

Related Tasks

Related computation task IDs (5)

aaadoaay aaadusbu aaaetieg aaafsmrv aaahbaym

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-865854

Reference Citation

The crystal structure and related material properties of Yb2CuRh were obtained from the Materials Project database (MP-ID: mp-865854, 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_Yb2CuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75088965
_cell_length_b   4.75088965
_cell_length_c   4.75088965
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb2CuRh
_chemical_formula_sum   'Yb2 Cu1 Rh1'
_cell_volume   75.82454822
_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
  Yb  Yb0  1  0.25000000  0.25000000  0.25000000  1.0
  Yb  Yb1  1  0.75000000  0.75000000  0.75000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.50000000  1.0
  Rh  Rh3  1  0.00000000  0.00000000  0.00000000  1.0

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