CeRhC2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-637637 · Space group: P4_3 (#78)

Materials Project API

Basic Information

Formula

CeRhC2

MP-ID

mp-637637

Elements

Sites

Density

7.6338

g/cm³

Volume

232.35

Å³

Cell a

3.8807

Cell b

3.8807

Cell c

15.4287

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4_3

Point Group

Crystal System

Tetragonal

Bravais Lattice

Stability

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
22.92	3.8807	1.8	(1,0,0)
23.06	3.8572	22.0	(0,0,4)
23.64	3.7635	14.0	(1,0,1)
28.82	3.0977	81.4	(1,0,3)
32.63	2.7441	22.4	(1,1,0)
32.74	2.7357	100.0	(1,0,4)
33.16	2.7017	68.8	(1,1,1)
34.70	2.5854	82.7	(1,1,2)
37.14	2.4210	24.9	(1,1,3)
37.23	2.4153	78.8	(1,0,5)
40.34	2.2360	4.7	(1,1,4)
44.17	2.0506	1.2	(1,1,5)
46.82	1.9403	5.4	(2,0,0)
47.12	1.9286	17.8	(0,0,8)
47.21	1.9252	57.9	(2,0,1)
47.44	1.9166	28.3	(1,0,7)
48.52	1.8764	2.9	(1,1,6)
50.26	1.8154	17.8	(2,0,3)
53.02	1.7271	15.7	(1,0,8)
53.10	1.7246	3.7	(2,1,1)
53.31	1.7184	5.0	(1,1,7)
54.17	1.6932	27.9	(2,1,2)
55.92	1.6444	16.0	(2,1,3)
58.30	1.5827	2.8	(2,1,4)

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Energy Properties

Formation Energy/atom

-0.28401

eV/atom

Energy/atom

-19.00184

eV/atom

Energy above Hull

0.1197

eV/atom

Uncorrected Energy

-8.2054

eV/atom

Volume/atom

14.52

Å³

c/a Ratio

3.9758

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.6654

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.011470

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

C · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.500

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

0.3632

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

38.071%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5906

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-65.159

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.429

Family

Interstitial Alloy

Matrix Element

C · 0.500

Related Tasks

Related computation task IDs (5)

aaadnfnu aaadtdyz aaaebyfn aaaeuffr aaafciaa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-637637

Reference Citation

The crystal structure and related material properties of CeRhC2 were obtained from the Materials Project database (MP-ID: mp-637637, 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_CeRhC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88068900
_cell_length_b   3.88068900
_cell_length_c   15.42870000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeRhC2
_chemical_formula_sum   'Ce4 Rh4 C8'
_cell_volume   232.35232031
_cell_formula_units_Z   4
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  0.64584900  0.35684800  0.74821200  1.0
  Ce  Ce1  1  0.35415100  0.64315200  0.24821200  1.0
  Ce  Ce2  1  0.35684800  0.35415100  0.99821200  1.0
  Ce  Ce3  1  0.64315200  0.64584900  0.49821200  1.0
  Rh  Rh4  1  0.14597200  0.15401500  0.59392800  1.0
  Rh  Rh5  1  0.85402800  0.84598500  0.09392800  1.0
  Rh  Rh6  1  0.84598500  0.14597200  0.34392800  1.0
  Rh  Rh7  1  0.15401500  0.85402800  0.84392800  1.0
  C  C8  1  0.16053400  0.85095100  0.71084500  1.0
  C  C9  1  0.35433300  0.15187300  0.38862600  1.0
  C  C10  1  0.83946600  0.14904900  0.21084500  1.0
  C  C11  1  0.14904900  0.16053400  0.46084500  1.0
  C  C12  1  0.85095100  0.83946600  0.96084500  1.0
  C  C13  1  0.15187300  0.64566700  0.63862600  1.0
  C  C14  1  0.64566700  0.84812700  0.88862600  1.0
  C  C15  1  0.84812700  0.35433300  0.13862600  1.0

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