Ce5AgPb3

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1106401 · Space group: P6_3/mcm (#193)

Materials Project API

Basic Information

Formula

Ce5AgPb3

MP-ID

mp-1106401

Elements

Sites

Density

8.6464

g/cm³

Volume

549.28

Å³

Cell a

9.7569

Cell b

9.7568

Cell c

6.6626

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mcm

Point Group

6/mmm

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
18.18	4.8785	1.6	(1,1,-2,0)
18.18	4.8785	1.6	(2,-1,-1,0)
18.18	4.8784	1.6	(1,-2,1,0)
22.59	3.9361	9.2	(1,1,-2,1)
22.59	3.9361	9.2	(2,-1,-1,1)
22.59	3.9361	9.2	(1,-2,1,1)
26.76	3.3313	44.0	(0,0,0,2)
27.94	3.1937	1.0	(2,1,-3,0)
27.94	3.1937	1.0	(3,-1,-2,0)
27.94	3.1937	1.0	(1,2,-3,0)
27.94	3.1937	1.0	(3,-2,-1,0)
27.94	3.1937	1.0	(1,-3,2,0)
27.94	3.1936	1.0	(2,-3,1,0)
31.05	2.8799	23.0	(2,1,-3,1)
31.05	2.8799	23.0	(3,-1,-2,1)
31.05	2.8799	23.0	(1,2,-3,1)
31.05	2.8799	23.0	(3,-2,-1,1)
31.05	2.8799	23.0	(1,-3,2,1)
31.05	2.8799	23.0	(2,-3,1,1)
31.77	2.8166	100.0	(3,0,-3,0)
31.77	2.8166	100.0	(0,3,-3,0)
31.77	2.8165	100.0	(3,-3,0,0)
32.55	2.7511	98.6	(1,1,-2,2)
32.55	2.7511	98.6	(2,-1,-1,2)

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Energy Properties

Formation Energy/atom

-0.36092

eV/atom

Energy/atom

-5.21266

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-38.8628

eV/atom

Volume/atom

30.52

Å³

c/a Ratio

0.6829

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

13.9674

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.025430

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ce · 0.556

Element Family

Lanthanide

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9369

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7893

J/mol·K

Ω Parameter

0.2271

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.094%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5635

smaller = more stable mixing

VEC

4.222

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-31.919

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8528

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.563

Family

Ce-rich Multi-Component

Matrix Element

Ce · 0.556

Related Tasks

Related computation task IDs (4)

aaadnpnr aaadrhag aaaetslw aaagjrwl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1106401

Reference Citation

The crystal structure and related material properties of Ce5AgPb3 were obtained from the Materials Project database (MP-ID: mp-1106401, 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_Ce5AgPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75690002
_cell_length_b   9.75674536
_cell_length_c   6.66257298
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99915665
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce5AgPb3
_chemical_formula_sum   'Ce10 Ag2 Pb6'
_cell_volume   549.27916614
_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  0.66670282  0.33333412  0.50000303  1.0
  Ce  Ce1  1  0.33335652  0.66666567  0.49999625  1.0
  Ce  Ce2  1  0.33335652  0.66666567  0.00000375  1.0
  Ce  Ce3  1  0.66670282  0.33333412  -0.00000303  1.0
  Ce  Ce4  1  0.71946160  0.71950422  0.25000000  1.0
  Ce  Ce5  1  0.28049422  -0.00003029  0.25000000  1.0
  Ce  Ce6  1  0.00001945  0.28052293  0.25000000  1.0
  Ce  Ce7  1  0.28048897  0.28054085  0.75000000  1.0
  Ce  Ce8  1  0.71946420  -0.00003631  0.75000000  1.0
  Ce  Ce9  1  0.00002147  0.71951505  0.75000000  1.0
  Ag  Ag10  1  0.99993523  -0.00001936  0.49999516  1.0
  Ag  Ag11  1  0.99993523  -0.00001936  0.00000484  1.0
  Pb  Pb12  1  0.37151914  0.37161737  0.25000000  1.0
  Pb  Pb13  1  0.62848799  -0.00001719  0.25000000  1.0
  Pb  Pb14  1  0.00006008  0.62845947  0.25000000  1.0
  Pb  Pb15  1  0.62840634  0.62848310  0.75000000  1.0
  Pb  Pb16  1  0.37155516  -0.00007012  0.75000000  1.0
  Pb  Pb17  1  0.00003225  0.37155007  0.75000000  1.0

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