CeCdCu

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079017 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

CeCdCu

MP-ID

mp-1079017

Elements

Sites

Density

7.8873

g/cm³

Volume

199.63

Å³

Cell a

7.5207

Cell b

7.5207

Cell c

4.0755

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

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
23.66	3.7604	3.4	(2,-1,-1,0)
25.79	3.4549	3.6	(1,0,-1,1)
27.39	3.2566	6.1	(2,0,-2,0)
32.39	2.7637	100.0	(2,-1,-1,1)
35.28	2.5441	78.5	(2,0,-2,1)
36.50	2.4617	54.2	(3,-1,-2,0)
41.60	2.1711	22.2	(3,0,-3,0)
42.92	2.1072	15.6	(3,-1,-2,1)
44.46	2.0378	24.0	(0,0,0,2)
48.41	1.8802	1.5	(4,-2,-2,0)
50.53	1.8064	11.6	(4,-1,-3,0)
53.01	1.7274	2.0	(2,0,-2,2)
53.69	1.7073	2.3	(4,-2,-2,1)
55.65	1.6515	21.0	(4,-1,-3,1)
56.52	1.6283	3.5	(4,0,-4,0)
58.83	1.5697	26.2	(3,-1,-2,2)
61.31	1.5121	3.2	(4,0,-4,1)
62.12	1.4942	2.5	(5,-2,-3,0)
62.51	1.4858	12.6	(3,0,-3,2)
65.70	1.4213	1.0	(5,-4,-1,0)
65.70	1.4213	2.0	(5,-1,-4,0)
66.67	1.4029	24.4	(5,-2,-3,1)
67.82	1.3818	1.5	(4,-2,-2,2)
69.54	1.3518	8.8	(4,-1,-3,2)

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Energy Properties

Formation Energy/atom

-0.17426

eV/atom

Energy/atom

-20.77173

eV/atom

Energy above Hull

0.0470

eV/atom

Uncorrected Energy

-3.8199

eV/atom

Volume/atom

22.18

Å³

c/a Ratio

0.5419

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.3996

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.007010

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

0.3978

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.138%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3295

smaller = more stable mixing

VEC

8.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-23.115

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.358

Family

Ce-rich Multi-Component

Matrix Element

Ce · 0.333

Related Tasks

Related computation task IDs (5)

aaadncax aaadspcx aaaeaiac aaaeucuy aaafiybj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079017

Reference Citation

The crystal structure and related material properties of CeCdCu were obtained from the Materials Project database (MP-ID: mp-1079017, 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_CeCdCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52072620
_cell_length_b   7.52072620
_cell_length_c   4.07549000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000175
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeCdCu
_chemical_formula_sum   'Ce3 Cd3 Cu3'
_cell_volume   199.63193289
_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  0.41119600  0.41119600  0.50000000  1.0
  Ce  Ce1  1  0.58880400  0.00000000  0.50000000  1.0
  Ce  Ce2  1  0.00000000  0.58880400  0.50000000  1.0
  Cd  Cd3  1  0.75037500  0.75037500  0.00000000  1.0
  Cd  Cd4  1  0.24962500  0.00000000  0.00000000  1.0
  Cd  Cd5  1  0.00000000  0.24962500  0.00000000  1.0
  Cu  Cu6  1  0.66666700  0.33333300  0.00000000  1.0
  Cu  Cu7  1  0.33333300  0.66666700  0.00000000  1.0
  Cu  Cu8  1  0.00000000  0.00000000  0.50000000  1.0

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