CeInRh

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079553 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

CeInRh

MP-ID

mp-1079553

Elements

Sites

Density

8.8822

g/cm³

Volume

200.70

Å³

Cell a

7.5834

Cell b

7.5838

Cell c

4.0297

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-62m

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
27.16	3.2839	6.1	(2,-2,0,0)
27.16	3.2838	6.1	(0,2,-2,0)
27.16	3.2836	6.2	(2,0,-2,0)
32.42	2.7615	99.6	(1,-2,1,1)
32.42	2.7614	99.6	(2,-1,-1,1)
32.42	2.7614	99.6	(1,1,-2,1)
35.26	2.5456	100.0	(2,-2,0,1)
35.26	2.5456	100.0	(0,2,-2,1)
35.26	2.5455	99.9	(2,0,-2,1)
36.19	2.4824	27.2	(2,-3,1,0)
36.19	2.4824	27.7	(1,-3,2,0)
36.19	2.4823	27.8	(3,-2,-1,0)
36.19	2.4822	27.2	(1,2,-3,0)
36.19	2.4822	27.2	(3,-1,-2,0)
36.19	2.4822	27.7	(2,1,-3,0)
41.24	2.1892	32.0	(3,-3,0,0)
41.24	2.1892	32.0	(0,3,-3,0)
41.24	2.1891	32.0	(3,0,-3,0)
42.78	2.1135	13.8	(2,-3,1,1)
42.79	2.1135	13.6	(1,-3,2,1)
42.79	2.1135	13.6	(3,-2,-1,1)
42.79	2.1134	13.8	(1,2,-3,1)
42.79	2.1134	13.8	(3,-1,-2,1)
42.79	2.1134	13.6	(2,1,-3,1)

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Energy Properties

Formation Energy/atom

-0.79123

eV/atom

Energy/atom

-26.64304

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.6430

eV/atom

Volume/atom

22.30

Å³

c/a Ratio

0.5314

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.6185

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.013050

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ce · 0.333

Element Family

Lanthanide

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

0.5303

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.036%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4751

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-21.441

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.430

Family

Ce-rich Multi-Component

Matrix Element

Ce · 0.333

Related Tasks

Related computation task IDs (5)

aaadnbls aaadslzl aaaektiq aaaermjh aaafiwap

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079553

Reference Citation

The crystal structure and related material properties of CeInRh were obtained from the Materials Project database (MP-ID: mp-1079553, 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_CeInRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58342519
_cell_length_b   7.58377127
_cell_length_c   4.02968430
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00307057
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeInRh
_chemical_formula_sum   'Ce3 In3 Rh3'
_cell_volume   200.69606133
_cell_formula_units_Z   3
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
  Ce  Ce0  1  0.41200300  -0.00042880  0.50000000  1.0
  Ce  Ce1  1  0.00044351  0.41245919  0.50000000  1.0
  Ce  Ce2  1  0.58755339  0.58799984  0.50000000  1.0
  In  In3  1  0.75127004  0.00027547  -0.00000000  1.0
  In  In4  1  -0.00033222  0.75106866  0.00000000  1.0
  In  In5  1  0.24907447  0.24865796  0.00000000  1.0
  Rh  Rh6  1  0.33340514  0.66674885  0.00000000  1.0
  Rh  Rh7  1  0.66658898  0.33329336  -0.00000000  1.0
  Rh  Rh8  1  0.99999268  0.99992547  0.50000000  1.0

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