Y10RuRh5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3296212 · Space group: P4cc (#103)

Materials Project API

Basic Information

Formula

Y10RuRh5

MP-ID

mp-3296212

Elements

Sites

Density

6.6004

g/cm³

Volume

757.09

Å³

Cell a

10.8649

Cell b

10.8649

Cell c

6.4135

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4cc

Point Group

4mm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
11.52	7.6827	4.3	(1,1,0)
16.32	5.4325	6.3	(2,0,0)
22.96	3.8730	39.5	(2,1,1)
23.15	3.8413	7.8	(2,2,0)
27.82	3.2068	3.2	(0,0,2)
29.03	3.0756	12.7	(1,0,2)
29.49	3.0286	80.5	(3,1,1)
32.42	2.7615	21.8	(2,0,2)
32.84	2.7274	67.3	(3,2,1)
33.48	2.6764	83.1	(2,1,2)
35.04	2.5609	10.2	(3,3,0)
36.50	2.4617	1.4	(2,2,2)
36.88	2.4374	94.9	(4,1,1)
37.00	2.4295	100.0	(4,2,0)
37.46	2.4009	41.7	(3,0,2)
38.40	2.3443	63.8	(3,1,2)
39.67	2.2719	29.3	(4,2,1)
41.10	2.1960	22.3	(3,2,2)
42.42	2.1308	5.4	(5,1,0)
43.67	2.0726	24.7	(4,0,2)
44.00	2.0581	4.7	(4,3,1)
44.50	2.0359	3.0	(4,1,2)
45.32	2.0011	3.9	(3,3,2)
46.40	1.9568	44.1	(2,1,3)

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Energy Properties

Formation Energy/atom

-0.68708

eV/atom

Energy/atom

-22.51469

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.5147

eV/atom

Volume/atom

23.66

Å³

c/a Ratio

0.5903

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0023

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Y · 0.625

Element Family

4d-TM

Solute Fraction

0.375

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8305

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.9050

J/mol·K

Ω Parameter

0.2965

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.683%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5070

smaller = more stable mixing

VEC

5.188

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-46.261

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7560

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.623

Family

Y-rich Multi-Component

Matrix Element

Y · 0.625

Related Tasks

Related computation task IDs (1)

aaahfobk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3296212

Reference Citation

The crystal structure and related material properties of Y10RuRh5 were obtained from the Materials Project database (MP-ID: mp-3296212, 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_Y10RuRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86493931
_cell_length_b   10.86493931
_cell_length_c   6.41349116
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y10RuRh5
_chemical_formula_sum   'Y20 Ru2 Rh10'
_cell_volume   757.09278911
_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
  Y  Y0  1  0.29504613  0.08697411  0.38393761  1.0
  Y  Y1  1  0.29504613  0.91302589  0.88393761  1.0
  Y  Y2  1  0.70495387  0.08697411  0.88393761  1.0
  Y  Y3  1  0.70495387  0.91302589  0.38393761  1.0
  Y  Y4  1  0.58697411  0.79504613  0.88393761  1.0
  Y  Y5  1  0.58697411  0.20495387  0.38393761  1.0
  Y  Y6  1  0.41302589  0.79504613  0.38393761  1.0
  Y  Y7  1  0.41302589  0.20495387  0.88393761  1.0
  Y  Y8  1  0.20896972  0.41066728  0.61813333  1.0
  Y  Y9  1  0.20896972  0.58933272  0.11813333  1.0
  Y  Y10  1  0.79103028  0.41066728  0.11813333  1.0
  Y  Y11  1  0.79103028  0.58933272  0.61813333  1.0
  Y  Y12  1  0.91066728  0.70896972  0.11813333  1.0
  Y  Y13  1  0.91066728  0.29103028  0.61813333  1.0
  Y  Y14  1  0.08933272  0.70896972  0.61813333  1.0
  Y  Y15  1  0.08933272  0.29103028  0.11813333  1.0
  Y  Y16  1  0.00000000  0.00000000  0.49543196  1.0
  Y  Y17  1  0.00000000  0.00000000  0.99543196  1.0
  Y  Y18  1  0.50000000  0.50000000  0.99543196  1.0
  Y  Y19  1  0.50000000  0.50000000  0.49543196  1.0
  Ru  Ru20  1  0.50000000  0.00000000  0.13538864  1.0
  Ru  Ru21  1  0.50000000  0.00000000  0.63538864  1.0
  Rh  Rh22  1  0.84925658  0.15520930  0.24816776  1.0
  Rh  Rh23  1  0.84925658  0.84479070  0.74816776  1.0
  Rh  Rh24  1  0.15074342  0.15520930  0.74816776  1.0
  Rh  Rh25  1  0.15074342  0.84479070  0.24816776  1.0
  Rh  Rh26  1  0.65520930  0.34925658  0.74816776  1.0
  Rh  Rh27  1  0.65520930  0.65074342  0.24816776  1.0
  Rh  Rh28  1  0.34479070  0.34925658  0.24816776  1.0
  Rh  Rh29  1  0.34479070  0.65074342  0.74816776  1.0
  Rh  Rh30  1  0.00000000  0.50000000  0.87279166  1.0
  Rh  Rh31  1  0.00000000  0.50000000  0.37279166  1.0

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