Ce3(Ge3Pd10)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-672275 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Ce3(Ge3Pd10)2

MP-ID

mp-672275

Elements

Sites

Density

10.0095

g/cm³

Volume

495.13

Å³

Cell a

8.8800

Cell b

8.8800

Cell c

8.8800

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

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
23.50	3.7864	4.0	(2,2,1)
24.56	3.6252	1.2	(2,2,2)
31.87	2.8081	13.6	(3,2,1)
35.00	2.5634	22.7	(3,3,2)
37.20	2.4168	100.0	(3,3,3)
40.64	2.2200	49.2	(4,2,2)
42.59	2.1227	29.0	(4,3,2)
43.22	2.0930	14.6	(4,3,3)
45.69	1.9856	1.5	(4,3,1)
47.47	1.9151	2.1	(4,4,3)
48.06	1.8932	22.7	(4,4,2)
52.55	1.7415	3.2	(5,3,2)
56.27	1.6349	1.9	(5,4,4)
58.83	1.5698	7.5	(4,4,0)
60.33	1.5342	3.1	(5,5,3)
60.82	1.5229	4.5	(5,5,4)
62.78	1.4800	24.4	(6,3,3)
64.23	1.4501	13.7	(6,4,3)
64.71	1.4405	4.1	(6,4,4)
66.61	1.4041	1.5	(6,4,2)
68.01	1.3784	7.2	(6,5,4)
68.48	1.3702	1.3	(6,5,3)
70.32	1.3387	1.5	(6,5,5)
71.69	1.3165	3.0	(6,5,2)

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Energy Properties

Formation Energy/atom

-0.64430

eV/atom

Energy/atom

-5.78729

eV/atom

Energy above Hull

0.0176

eV/atom

Uncorrected Energy

-5.7873

eV/atom

Volume/atom

17.07

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.7179

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.005490

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pd · 0.690

Element Family

4d-TM

Solute Fraction

0.310

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8169

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.7918

J/mol·K

Ω Parameter

0.3733

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.604%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3245

smaller = more stable mixing

VEC

8.034

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-29.506

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7436

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.639

Family

Pd-rich Multi-Component

Matrix Element

Pd · 0.690

Related Tasks

Related computation task IDs (3)

aaacbrvf aaadcbmk aaadvtwq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-672275

Reference Citation

The crystal structure and related material properties of Ce3(Ge3Pd10)2 were obtained from the Materials Project database (MP-ID: mp-672275, 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_Ce3(Ge3Pd10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87999121
_cell_length_b   8.87999121
_cell_length_c   8.87999121
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3(Ge3Pd10)2
_chemical_formula_sum   'Ce3 Ge6 Pd20'
_cell_volume   495.13384028
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  Ce  Ce1  1  0.25000000  0.25000000  0.25000000  1.0
  Ce  Ce2  1  0.75000000  0.75000000  0.75000000  1.0
  Ge  Ge3  1  0.26865500  0.73134500  0.26865500  1.0
  Ge  Ge4  1  0.26865500  0.26865500  0.73134500  1.0
  Ge  Ge5  1  0.26865500  0.73134500  0.73134500  1.0
  Ge  Ge6  1  0.73134500  0.26865500  0.73134500  1.0
  Ge  Ge7  1  0.73134500  0.26865500  0.26865500  1.0
  Ge  Ge8  1  0.73134500  0.73134500  0.26865500  1.0
  Pd  Pd9  1  0.85476400  0.38174500  0.38174500  1.0
  Pd  Pd10  1  0.34845600  0.65154400  0.00000000  1.0
  Pd  Pd11  1  0.34845600  0.00000000  0.00000000  1.0
  Pd  Pd12  1  0.00000000  0.34845600  0.65154400  1.0
  Pd  Pd13  1  0.00000000  0.34845600  0.00000000  1.0
  Pd  Pd14  1  0.38174500  0.38174500  0.38174500  1.0
  Pd  Pd15  1  0.00000000  0.00000000  0.34845600  1.0
  Pd  Pd16  1  0.00000000  0.65154400  0.00000000  1.0
  Pd  Pd17  1  0.00000000  0.00000000  0.65154400  1.0
  Pd  Pd18  1  0.65154400  0.00000000  0.34845600  1.0
  Pd  Pd19  1  0.14523600  0.61825500  0.61825500  1.0
  Pd  Pd20  1  0.61825500  0.61825500  0.61825500  1.0
  Pd  Pd21  1  0.65154400  0.34845600  0.00000000  1.0
  Pd  Pd22  1  0.61825500  0.14523600  0.61825500  1.0
  Pd  Pd23  1  0.65154400  0.00000000  0.00000000  1.0
  Pd  Pd24  1  0.61825500  0.61825500  0.14523600  1.0
  Pd  Pd25  1  0.00000000  0.65154400  0.34845600  1.0
  Pd  Pd26  1  0.34845600  0.00000000  0.65154400  1.0
  Pd  Pd27  1  0.38174500  0.85476400  0.38174500  1.0
  Pd  Pd28  1  0.38174500  0.38174500  0.85476400  1.0

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