CeCdPd

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1079977 · Space group: P-62m (#189)

Materials Project API

Basic Information

Formula

CeCdPd

MP-ID

mp-1079977

Elements

Sites

Density

8.5191

g/cm³

Volume

209.90

Å³

Cell a

7.7325

Cell b

7.7326

Cell c

4.0535

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
23.00	3.8663	1.5	(2,-1,-1,0)
26.62	3.3483	5.4	(2,-2,0,0)
26.62	3.3483	2.7	(2,0,-2,0)
31.99	2.7977	50.0	(1,-2,1,1)
31.99	2.7977	100.0	(2,-1,-1,1)
34.75	2.5815	95.8	(2,-2,0,1)
34.75	2.5815	47.9	(2,0,-2,1)
35.47	2.5311	26.5	(2,-3,1,0)
35.47	2.5311	26.5	(3,-2,-1,0)
35.47	2.5310	26.5	(3,-1,-2,0)
40.41	2.2322	35.0	(3,-3,0,0)
40.41	2.2322	17.5	(3,0,-3,0)
42.09	2.1469	14.3	(2,-3,1,1)
42.09	2.1469	14.3	(3,-2,-1,1)
42.09	2.1469	14.3	(3,-1,-2,1)
44.71	2.0268	40.5	(0,0,0,2)
47.00	1.9332	2.3	(2,-4,2,0)
47.01	1.9331	4.6	(4,-2,-2,0)
49.05	1.8573	5.5	(3,-4,1,0)
49.05	1.8573	5.5	(4,-3,-1,0)
49.05	1.8573	2.8	(3,1,-4,0)
49.05	1.8573	2.8	(4,-1,-3,0)
52.44	1.7449	1.9	(4,-2,-2,1)
52.80	1.7339	1.7	(2,-2,0,2)

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Energy Properties

Formation Energy/atom

-0.56868

eV/atom

Energy/atom

-4.59429

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-25.3008

eV/atom

Volume/atom

23.32

Å³

c/a Ratio

0.5242

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.6593

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.017430

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

0.2159

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.783%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4411

smaller = more stable mixing

VEC

8.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-49.221

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.390

Family

Ce-rich Multi-Component

Matrix Element

Ce · 0.333

Related Tasks

Related computation task IDs (5)

aaadncvm aaadsrkv aaaemach aaaeuadt aaafxcss

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1079977

Reference Citation

The crystal structure and related material properties of CeCdPd were obtained from the Materials Project database (MP-ID: mp-1079977, 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_CeCdPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73249124
_cell_length_b   7.73262060
_cell_length_c   4.05351348
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00055038
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeCdPd
_chemical_formula_sum   'Ce3 Cd3 Pd3'
_cell_volume   209.89688002
_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  0.40872005  0.00001674  0.50000000  1.0
  Ce  Ce1  1  -0.00000000  0.40869747  0.50000000  1.0
  Ce  Ce2  1  0.59127995  0.59129669  0.50000000  1.0
  Cd  Cd3  1  0.75079565  -0.00001691  -0.00000000  1.0
  Cd  Cd4  1  0.00000000  0.75081581  0.00000000  1.0
  Cd  Cd5  1  0.24920435  0.24918744  -0.00000000  1.0
  Pd  Pd6  1  0.33332761  0.66665481  -0.00000000  1.0
  Pd  Pd7  1  0.66667239  0.33332620  -0.00000000  1.0
  Pd  Pd8  1  -0.00000000  0.00002073  0.50000000  1.0

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