CeGaPd2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-639863 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

CeGaPd2

MP-ID

mp-639863

Elements

Sites

Density

9.0782

g/cm³

Volume

309.26

Å³

Cell a

5.7726

Cell b

7.0161

Cell c

7.6359

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

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
19.28	4.6049	5.3	(1,0,-1)
19.28	4.6048	5.3	(1,0,1)
19.92	4.4577	2.1	(1,1,0)
25.39	3.5080	3.2	(0,2,0)
26.58	3.3536	7.7	(0,1,2)
30.84	2.8998	35.5	(1,1,-2)
30.84	2.8997	35.5	(1,1,2)
32.07	2.7905	28.2	(1,2,-1)
32.07	2.7905	28.3	(1,2,1)
33.18	2.6999	25.4	(2,0,-1)
33.18	2.6998	25.4	(2,0,1)
34.73	2.5832	100.0	(0,2,2)
35.63	2.5198	70.5	(2,1,-1)
35.63	2.5197	70.6	(2,1,1)
38.17	2.3579	47.8	(1,2,-2)
38.17	2.3579	47.8	(1,2,2)
38.66	2.3290	48.2	(1,0,-3)
38.66	2.3289	48.2	(1,0,3)
39.12	2.3024	7.5	(2,0,-2)
39.13	2.3024	7.5	(2,0,2)
40.47	2.2288	29.2	(2,2,0)
40.82	2.2104	10.6	(1,1,-3)
40.83	2.2103	10.6	(1,1,3)
41.27	2.1877	1.0	(2,1,-2)

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Energy Properties

Formation Energy/atom

-0.80636

eV/atom

Energy/atom

-5.63757

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.9102

eV/atom

Volume/atom

19.33

Å³

c/a Ratio

1.3228

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.9751

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.012850

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pd · 0.500

Element Family

4d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

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

0.2128

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.201%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4411

smaller = more stable mixing

VEC

6.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-51.046

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.509

Family

Pd-rich Multi-Component

Matrix Element

Pd · 0.500

Related Tasks

Related computation task IDs (5)

aaadmzkj aaadrlek aaaeufsg aaafxgbj aaagabwo

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-639863

Reference Citation

The crystal structure and related material properties of CeGaPd2 were obtained from the Materials Project database (MP-ID: mp-639863, 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_CeGaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77256203
_cell_length_b   7.01606225
_cell_length_c   7.63589042
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00147108
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeGaPd2
_chemical_formula_sum   'Ce4 Ga4 Pd8'
_cell_volume   309.25855999
_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  0.84603454  0.25000000  0.46203399  1.0
  Ce  Ce1  1  0.15396103  0.75000000  0.53778575  1.0
  Ce  Ce2  1  0.34603731  0.75000000  0.03800961  1.0
  Ce  Ce3  1  0.65391454  0.25000000  0.96217629  1.0
  Ga  Ga4  1  0.65595497  0.75000000  0.38130717  1.0
  Ga  Ga5  1  0.34405589  0.25000000  0.61868113  1.0
  Ga  Ga6  1  0.84405130  0.75000000  0.88120516  1.0
  Ga  Ga7  1  0.15586345  0.25000000  0.11883124  1.0
  Pd  Pd8  1  0.91305371  0.55192550  0.17712370  1.0
  Pd  Pd9  1  0.58693043  0.94809164  0.67692985  1.0
  Pd  Pd10  1  0.58693043  0.55190836  0.67692985  1.0
  Pd  Pd11  1  0.41319554  0.44801440  0.32290660  1.0
  Pd  Pd12  1  0.41319554  0.05198560  0.32290660  1.0
  Pd  Pd13  1  0.91305371  0.94807450  0.17712370  1.0
  Pd  Pd14  1  0.08688380  0.05198638  0.82302468  1.0
  Pd  Pd15  1  0.08688380  0.44801362  0.82302468  1.0

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