Zn3SbRh4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3202991 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Zn3SbRh4

MP-ID

mp-3202991

Elements

Sites

Density

10.6322

g/cm³

Volume

113.95

Å³

Cell a

7.5021

Cell b

7.5021

Cell c

7.5021

α Angle

33.40

β Angle

33.40

γ Angle

33.40

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
12.51	7.0770	5.3	(1,1,1)
24.20	3.6778	2.6	(0,0,1)
24.20	3.6778	5.2	(1,0,0)
25.17	3.5385	1.5	(2,2,2)
25.28	3.5226	3.7	(1,1,0)
25.28	3.5226	1.9	(1,0,1)
29.24	3.0541	3.8	(1,1,2)
29.24	3.0541	7.6	(2,1,1)
31.91	2.8041	3.3	(2,2,1)
31.91	2.8041	1.7	(2,1,2)
38.15	2.3590	4.1	(3,3,3)
41.76	2.1632	98.1	(3,3,2)
41.76	2.1632	98.1	(2,3,3)
41.76	2.1632	98.1	(3,2,3)
41.90	2.1560	100.0	(1,0,-1)
41.90	2.1560	100.0	(0,1,-1)
41.90	2.1560	100.0	(1,-1,0)
49.38	1.8457	2.0	(4,3,3)
51.66	1.7693	1.1	(4,4,4)
57.95	1.5914	1.2	(2,3,4)
57.95	1.5914	3.5	(4,3,2)
57.95	1.5914	1.2	(3,2,4)
57.95	1.5914	1.2	(4,2,3)
60.64	1.5271	31.5	(2,2,4)

Get direct link

Energy Properties

Formation Energy/atom

-0.50062

eV/atom

Energy/atom

-19.12350

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.1235

eV/atom

Volume/atom

14.24

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

0.9743

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1005

J/mol·K

Ω Parameter

2.6644

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

2.687%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2919

smaller = more stable mixing

VEC

9.625

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.534

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

Rh-rich Multi-Component

Matrix Element

Rh · 0.500

Related Tasks

Related computation task IDs (1)

aaahagdz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3202991

Reference Citation

The crystal structure and related material properties of Zn3SbRh4 were obtained from the Materials Project database (MP-ID: mp-3202991, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Zn3SbRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50213157
_cell_length_b   7.50213210
_cell_length_c   7.50213179
_cell_angle_alpha   33.40207560
_cell_angle_beta   33.40208496
_cell_angle_gamma   33.40206894
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3SbRh4
_chemical_formula_sum   'Zn3 Sb1 Rh4'
_cell_volume   113.95105957
_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
  Zn  Zn0  1  0.24266412  0.24266412  0.24266412  1.0
  Zn  Zn1  1  0.75733588  0.75733588  0.75733588  1.0
  Zn  Zn2  1  0.50000000  0.50000000  0.50000000  1.0
  Sb  Sb3  1  0.00000000  0.00000000  0.00000000  1.0
  Rh  Rh4  1  0.87712784  0.87712784  0.87712784  1.0
  Rh  Rh5  1  0.37388195  0.37388195  0.37388195  1.0
  Rh  Rh6  1  0.12287216  0.12287216  0.12287216  1.0
  Rh  Rh7  1  0.62611805  0.62611805  0.62611805  1.0

Get direct link