Ru(PtRh3)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202070 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Ru(PtRh3)2

MP-ID

mp-3202070

Elements

Sites

Density

14.5206

g/cm³

Volume

126.79

Å³

Cell a

6.0655

Cell b

6.0655

Cell c

6.0655

α Angle

95.73

β Angle

95.69

γ Angle

143.22

Space Group

Immm

Point Group

mmm

Crystal System

Orthorhombic

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
15.39	5.7557	5.2	(0,0,1)
21.83	4.0707	1.7	(1,-1,1)
21.84	4.0691	8.4	(1,-1,-1)
25.72	3.4635	1.8	(1,0,0)
25.72	3.4635	1.8	(0,1,-1)
25.72	3.4633	5.7	(0,1,0)
25.72	3.4633	5.7	(1,0,-1)
31.08	2.8779	4.4	(0,0,2)
33.99	2.6378	1.0	(1,0,1)
33.99	2.6378	1.0	(1,-2,1)
33.99	2.6378	1.0	(2,-1,0)
33.99	2.6378	1.0	(0,1,-2)
33.99	2.6375	2.0	(0,1,1)
33.99	2.6375	1.0	(2,-1,-1)
33.99	2.6375	1.0	(1,0,-2)
34.85	2.5744	5.5	(1,-1,2)
34.86	2.5736	1.7	(1,-1,-2)
40.76	2.2137	77.6	(2,-1,1)
40.76	2.2137	77.6	(1,-2,2)
40.77	2.2132	77.5	(1,-2,-1)
40.77	2.2132	77.5	(2,-1,-2)
44.53	2.0346	1.5	(2,-2,-2)
46.71	1.9446	1.3	(1,0,2)
46.71	1.9446	1.3	(2,-3,1)

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Energy Properties

Formation Energy/atom

-0.02906

eV/atom

Energy/atom

-30.38654

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.3865

eV/atom

Volume/atom

14.09

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

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.667

Element Family

4d-TM

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8487

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.0560

J/mol·K

Ω Parameter

0.9122

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.539%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0251

smaller = more stable mixing

VEC

9.111

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-17.284

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7725

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.632

Family

Rh-rich Multi-Component

Matrix Element

Rh · 0.667

Related Tasks

Related computation task IDs (1)

aaahaeuo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202070

Reference Citation

The crystal structure and related material properties of Ru(PtRh3)2 were obtained from the Materials Project database (MP-ID: mp-3202070, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Ru(PtRh3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06546034
_cell_length_b   6.06546439
_cell_length_c   6.06545987
_cell_angle_alpha   95.73250415
_cell_angle_beta   95.69171223
_cell_angle_gamma   143.21987591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru(PtRh3)2
_chemical_formula_sum   'Ru1 Pt2 Rh6'
_cell_volume   126.78524521
_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
  Ru  Ru0  1  0.00000000  0.00000000  0.00000000  1.0
  Pt  Pt1  1  0.66933163  0.00000000  0.66933163  1.0
  Pt  Pt2  1  0.33066837  1.00000000  0.33066837  1.0
  Rh  Rh3  1  0.33818708  0.33659517  0.67478125  1.0
  Rh  Rh4  1  0.66181292  0.66340483  0.32521875  1.0
  Rh  Rh5  1  0.66181392  0.33659517  0.99841009  1.0
  Rh  Rh6  1  0.33818608  0.66340483  0.00158991  1.0
  Rh  Rh7  1  0.00000000  0.32694589  0.32694589  1.0
  Rh  Rh8  1  1.00000000  0.67305411  0.67305411  1.0

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