Sr2Pt3Rh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202856 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Sr2Pt3Rh

MP-ID

mp-3202856

Elements

Sites

Density

12.1481

g/cm³

Volume

118.02

Å³

Cell a

5.4990

Cell b

5.5127

Cell c

5.5127

α Angle

60.00

β Angle

59.92

γ Angle

59.92

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

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
19.73	4.4992	58.7	(0,1,0)
19.80	4.4844	73.7	(1,0,0)
22.84	3.8932	9.8	(1,1,0)
32.48	2.7563	1.6	(1,1,2)
32.48	2.7563	3.3	(0,1,-1)
32.57	2.7495	39.2	(1,0,-1)
38.30	2.3503	86.6	(1,0,2)
38.30	2.3503	43.3	(1,2,0)
38.33	2.3482	43.8	(0,1,2)
38.33	2.3482	87.6	(1,1,-1)
38.40	2.3440	64.6	(2,1,0)
40.08	2.2496	100.0	(0,0,2)
40.08	2.2496	50.0	(0,2,0)
40.22	2.2422	50.1	(2,0,0)
46.66	1.9466	54.1	(2,2,0)
51.07	1.7884	6.5	(1,1,3)
51.07	1.7884	3.3	(0,2,-1)
51.16	1.7856	13.3	(1,0,-2)
51.16	1.7856	6.6	(1,-2,0)
51.24	1.7828	4.7	(2,0,-1)
52.51	1.7428	1.6	(1,2,-1)
52.62	1.7394	2.2	(2,1,-1)
58.00	1.5901	5.1	(0,1,3)
58.00	1.5901	5.1	(1,1,-2)

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Energy Properties

Formation Energy/atom

-0.81414

eV/atom

Energy/atom

-35.62926

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-35.6293

eV/atom

Volume/atom

19.67

Å³

c/a Ratio

1.0025

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

Pt · 0.500

Element Family

5d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

1.7591

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.548%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.6270

smaller = more stable mixing

VEC

7.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-8.333

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.465

Family

Pt-rich Multi-Component

Matrix Element

Pt · 0.500

Related Tasks

Related computation task IDs (1)

aaahafyu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202856

Reference Citation

The crystal structure and related material properties of Sr2Pt3Rh were obtained from the Materials Project database (MP-ID: mp-3202856, 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_Sr2Pt3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49901756
_cell_length_b   5.51265099
_cell_length_c   5.51265216
_cell_angle_alpha   59.99999303
_cell_angle_beta   59.91794618
_cell_angle_gamma   59.91794275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Pt3Rh
_chemical_formula_sum   'Sr2 Pt3 Rh1'
_cell_volume   118.01886048
_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
  Sr  Sr0  1  0.24877260  0.25040913  0.25040913  1.0
  Sr  Sr1  1  0.00122740  0.99959087  0.99959087  1.0
  Pt  Pt2  1  0.62500000  0.12500000  0.62500000  1.0
  Pt  Pt3  1  0.62500000  0.62500000  0.12500000  1.0
  Pt  Pt4  1  0.62500000  0.62500000  0.62500000  1.0
  Rh  Rh5  1  0.12500000  0.62500000  0.62500000  1.0

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