CeRh

Traditional Materials TRA

MP-ID: mp-1018117 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

CeRh

MP-ID

mp-1018117

Elements

Sites

Density

9.2826

g/cm³

Volume

86.95

Å³

Cell a

3.8177

Cell b

3.9562

Cell c

6.0650

α Angle

90.00

β Angle

71.66

γ Angle

90.00

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

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
15.39	5.7567	1.6	(0,0,1)
27.35	3.2605	4.5	(0,1,1)
31.07	2.8784	49.6	(0,0,2)
33.10	2.7066	16.6	(1,0,-1)
33.54	2.6722	100.0	(1,1,0)
38.69	2.3275	16.0	(0,1,2)
40.38	2.2339	66.7	(1,1,-1)
45.88	1.9781	22.6	(0,2,0)
46.03	1.9718	2.0	(1,0,-2)
47.64	1.9089	20.2	(2,0,1)
51.81	1.7647	14.0	(1,1,-2)
53.04	1.7265	2.8	(0,1,3)
55.81	1.6473	1.3	(2,1,0)
56.44	1.6302	18.0	(0,2,2)
57.73	1.5970	6.8	(1,2,-1)
57.97	1.5908	16.6	(2,0,-1)
61.38	1.5106	10.8	(1,0,-3)
62.98	1.4760	7.5	(2,1,-1)
64.78	1.4392	2.0	(0,0,4)
66.23	1.4112	7.6	(1,1,-3)
67.01	1.3965	1.2	(1,2,-2)
68.28	1.3736	13.6	(2,2,1)
69.50	1.3525	7.5	(0,1,4)
74.04	1.2805	2.1	(2,1,-2)

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Energy Properties

Formation Energy/atom

-0.80469

eV/atom

Energy/atom

-28.29312

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-28.2931

eV/atom

Volume/atom

21.74

Å³

c/a Ratio

1.5886

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.8769

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.010090

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ce · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.624

Family

Binary Alloy

Matrix Element

Ce · 0.500

Related Tasks

Related computation task IDs (5)

aaacioml aaaemqxq aaaeuqte aaafatzy aaafwwjr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018117

Reference Citation

The crystal structure and related material properties of CeRh were obtained from the Materials Project database (MP-ID: mp-1018117, 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_CeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81769870
_cell_length_b   3.95619354
_cell_length_c   6.06495196
_cell_angle_alpha   90.00000000
_cell_angle_beta   71.65521618
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeRh
_chemical_formula_sum   'Ce2 Rh2'
_cell_volume   86.94708281
_cell_formula_units_Z   2
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  0.13764146  0.75000000  0.72471909  1.0
  Ce  Ce1  1  0.86235854  0.25000000  0.27528091  1.0
  Rh  Rh2  1  0.40413314  0.75000000  0.19173372  1.0
  Rh  Rh3  1  0.59586686  0.25000000  0.80826628  1.0

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