Sr4Cu3Rh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202853 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Sr4Cu3Rh

MP-ID

mp-3202853

Elements

Sites

Density

4.2976

g/cm³

Volume

248.84

Å³

Cell a

4.2690

Cell b

4.2690

Cell c

15.7669

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

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
5.61	15.7669	7.3	(0,0,0,1)
11.22	7.8835	100.0	(0,0,0,2)
24.07	3.6971	2.8	(1,0,-1,0)
24.73	3.5994	3.5	(1,0,-1,1)
24.73	3.5994	7.0	(1,-1,0,1)
26.63	3.3473	10.7	(1,0,-1,2)
29.54	3.0238	53.3	(1,0,-1,3)
29.54	3.0238	26.7	(1,-1,0,3)
33.22	2.6966	26.0	(1,0,-1,4)
33.22	2.6966	13.0	(1,-1,0,4)
34.12	2.6278	8.7	(0,0,0,6)
37.49	2.3992	37.2	(1,0,-1,5)
42.19	2.1419	1.5	(1,0,-1,6)
42.34	2.1345	36.6	(2,-1,-1,0)
42.34	2.1345	18.3	(1,-2,1,0)
43.95	2.0603	13.7	(2,-1,-1,2)
43.95	2.0603	6.9	(1,-2,1,2)
46.05	1.9709	14.2	(0,0,0,8)
47.25	1.9235	2.7	(1,0,-1,7)
50.73	1.7997	1.2	(2,-2,0,2)
52.47	1.7438	5.1	(2,0,-2,3)
52.47	1.7438	5.1	(0,2,-2,3)
52.47	1.7438	5.1	(2,-2,0,3)
54.86	1.6736	6.1	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

-0.12600

eV/atom

Energy/atom

-14.78341

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-14.7834

eV/atom

Volume/atom

31.11

Å³

c/a Ratio

3.6934

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

Sr · 0.500

Element Family

Alkali-AlkEarth

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9743

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1005

J/mol·K

Ω Parameter

4.0545

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

21.425%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5353

smaller = more stable mixing

VEC

6.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.625

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8869

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.530

Family

Sr-rich Multi-Component

Matrix Element

Sr · 0.500

Related Tasks

Related computation task IDs (1)

aaahafyr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202853

Reference Citation

The crystal structure and related material properties of Sr4Cu3Rh were obtained from the Materials Project database (MP-ID: mp-3202853, 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_Sr4Cu3Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26899632
_cell_length_b   4.26899567
_cell_length_c   15.76690982
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999018
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4Cu3Rh
_chemical_formula_sum   'Sr4 Cu3 Rh1'
_cell_volume   248.84490471
_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  0.33333300  0.66666700  0.37555841  1.0
  Sr  Sr1  1  0.66666700  0.33333300  0.62174760  1.0
  Sr  Sr2  1  0.66666700  0.33333300  0.87825240  1.0
  Sr  Sr3  1  0.33333300  0.66666700  0.12444159  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.75000000  1.0
  Cu  Cu5  1  0.33333300  0.66666700  0.75000000  1.0
  Cu  Cu6  1  0.66666700  0.33333300  0.25000000  1.0
  Rh  Rh7  1  0.00000000  0.00000000  0.25000000  1.0

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