RuPt3Rh5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202166 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

RuPt3Rh5

MP-ID

mp-3202166

Elements

Sites

Density

15.5352

g/cm³

Volume

128.36

Å³

Cell a

6.0934

Cell b

6.0934

Cell c

6.0934

α Angle

95.70

β Angle

95.68

γ Angle

143.29

Space Group

Imm2

Point Group

mm2

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
15.32	5.7835	20.0	(0,0,1)
21.73	4.0892	6.7	(1,-1,-1)
25.64	3.4741	9.7	(1,0,-1)
30.92	2.8917	12.5	(0,0,2)
33.85	2.6478	9.3	(2,-1,0)
33.85	2.6478	3.1	(1,-2,1)
33.86	2.6476	12.4	(2,-1,-1)
34.68	2.5866	4.6	(1,-1,2)
40.59	2.2227	100.0	(2,-1,1)
40.59	2.2227	100.0	(1,-2,2)
40.59	2.2224	99.9	(2,-1,-2)
40.59	2.2224	99.9	(1,-2,-1)
44.30	2.0446	1.4	(2,-2,-2)
46.50	1.9528	3.0	(3,-2,0)
47.14	1.9278	64.6	(0,0,3)
47.14	1.9278	64.6	(3,-3,0)
47.38	1.9187	64.5	(1,1,-1)
49.86	1.8290	1.3	(1,-1,3)
49.86	1.8288	1.2	(1,-1,-3)
50.09	1.8211	1.8	(2,0,-1)
57.45	1.6042	2.4	(2,-2,3)
57.46	1.6039	1.2	(2,-2,-3)
57.46	1.6039	1.2	(3,-3,-2)
57.66	1.5988	1.1	(3,-1,-1)

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Energy Properties

Formation Energy/atom

-0.03212

eV/atom

Energy/atom

-33.42866

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-33.4287

eV/atom

Volume/atom

14.26

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0177

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000140

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Rh · 0.556

Element Family

4d-TM

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9369

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7893

J/mol·K

Ω Parameter

0.7756

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

1.737%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.0251

smaller = more stable mixing

VEC

9.222

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-22.222

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8528

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.563

Family

Rh-rich Multi-Component

Matrix Element

Rh · 0.556

Related Tasks

Related computation task IDs (1)

aaahaeyg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202166

Reference Citation

The crystal structure and related material properties of RuPt3Rh5 were obtained from the Materials Project database (MP-ID: mp-3202166, 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_RuPt3Rh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09343215
_cell_length_b   6.09343115
_cell_length_c   6.09343205
_cell_angle_alpha   95.69860885
_cell_angle_beta   95.68225713
_cell_angle_gamma   143.29205844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuPt3Rh5
_chemical_formula_sum   'Ru1 Pt3 Rh5'
_cell_volume   128.35737910
_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  0.00375684  0.00375684  1.0
  Pt  Pt1  1  0.00000000  0.67130740  0.67130740  1.0
  Pt  Pt2  1  0.67089485  0.99826986  0.66916371  1.0
  Pt  Pt3  1  0.32910515  0.99826986  0.32737500  1.0
  Rh  Rh4  1  0.33660426  0.33825530  0.67485856  1.0
  Rh  Rh5  1  0.65964336  0.66342609  0.32306845  1.0
  Rh  Rh6  1  0.66339574  0.33825530  0.00165105  1.0
  Rh  Rh7  1  0.34035664  0.66342609  0.00378372  1.0
  Rh  Rh8  1  1.00000000  0.32503626  0.32503626  1.0

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