Sr2ZnRh3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202087 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Sr2ZnRh3

MP-ID

mp-3202087

Elements

Sites

Density

7.9298

g/cm³

Volume

115.04

Å³

Cell a

5.5899

Cell b

5.3375

Cell c

5.5899

α Angle

58.42

β Angle

60.00

γ Angle

58.42

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
19.61	4.5259	8.9	(1,0,0)
20.90	4.2512	13.8	(0,1,0)
23.07	3.8558	2.5	(1,1,0)
32.02	2.7949	12.4	(1,0,-1)
32.02	2.7949	6.2	(2,1,1)
33.66	2.6628	35.6	(1,-1,0)
37.83	2.3780	53.0	(2,1,0)
37.83	2.3780	26.5	(2,1,2)
38.55	2.3354	100.0	(1,1,-1)
39.84	2.2630	75.9	(2,0,0)
39.95	2.2567	30.5	(1,2,0)
39.95	2.2567	15.2	(0,2,1)
42.53	2.1256	20.7	(0,2,0)
47.14	1.9279	13.8	(2,2,0)
50.38	1.8112	1.3	(2,0,-1)
52.09	1.7558	1.1	(0,1,-2)
52.09	1.7558	2.2	(2,3,2)
57.08	1.6137	2.3	(3,1,0)
57.08	1.6137	1.1	(3,2,3)
58.13	1.5870	4.9	(1,1,-2)
58.13	1.5870	9.7	(3,3,2)
61.21	1.5142	1.9	(1,-2,1)
61.46	1.5086	8.2	(0,0,3)
61.46	1.5086	16.4	(0,2,3)

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Energy Properties

Formation Energy/atom

-0.34011

eV/atom

Energy/atom

-18.94188

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-18.9419

eV/atom

Volume/atom

19.17

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 · 0.500

Element Family

4d-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

5.0578

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.944%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5959

smaller = more stable mixing

VEC

7.167

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.633

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

Rh-rich Multi-Component

Matrix Element

Rh · 0.500

Related Tasks

Related computation task IDs (1)

aaahaevf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202087

Reference Citation

The crystal structure and related material properties of Sr2ZnRh3 were obtained from the Materials Project database (MP-ID: mp-3202087, 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_Sr2ZnRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58985886
_cell_length_b   5.33746796
_cell_length_c   5.58985907
_cell_angle_alpha   58.42304787
_cell_angle_beta   60.00000453
_cell_angle_gamma   58.42303930
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ZnRh3
_chemical_formula_sum   'Sr2 Zn1 Rh3'
_cell_volume   115.03981052
_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  0.24972007  0.25084079  0.24972007  1.0
  Sr  Sr1  1  0.00027993  0.99915921  0.00027993  1.0
  Zn  Zn2  1  0.62500000  0.12500000  0.62500000  1.0
  Rh  Rh3  1  0.62500000  0.62500000  0.12500000  1.0
  Rh  Rh4  1  0.12500000  0.62500000  0.62500000  1.0
  Rh  Rh5  1  0.62500000  0.62500000  0.62500000  1.0

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