Ce3(AgGe)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-640597 · Space group: Immm (#71)

Materials Project API

Basic Information

Formula

Ce3(AgGe)4

MP-ID

mp-640597

Elements

Sites

Density

7.9823

g/cm³

Volume

237.65

Å³

Cell a

8.5344

Cell b

8.5239

Cell c

8.5268

α Angle

149.50

β Angle

130.45

γ Angle

59.31

Space Group

Immm

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
11.94	7.4121	12.4	(1,1,-1)
23.42	3.7990	1.8	(1,-1,0)
23.42	3.7989	1.9	(0,0,1)
24.01	3.7060	3.2	(2,2,-2)
24.91	3.5749	4.4	(1,-1,1)
26.35	3.3826	6.2	(2,0,-1)
26.36	3.3807	6.2	(1,1,0)
26.36	3.3807	6.0	(1,1,-2)
26.38	3.3790	5.9	(0,2,-1)
26.84	3.3220	4.0	(2,1,-2)
26.86	3.3195	4.0	(1,2,-1)
32.59	2.7477	50.8	(2,-1,0)
32.60	2.7471	50.6	(1,0,1)
32.60	2.7466	51.8	(0,1,-2)
32.61	2.7463	51.8	(1,-2,1)
32.68	2.7399	25.6	(3,2,-2)
32.71	2.7375	26.5	(2,3,-3)
33.77	2.6545	51.0	(3,1,-2)
33.79	2.6528	50.9	(2,2,-1)
33.79	2.6528	51.3	(2,2,-3)
33.81	2.6511	51.1	(1,3,-2)
36.31	2.4740	7.3	(3,2,-3)
36.34	2.4723	7.4	(2,3,-2)
36.36	2.4707	54.6	(3,3,-3)

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Energy Properties

Formation Energy/atom

-0.73133

eV/atom

Energy/atom

-5.06540

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.7964

eV/atom

Volume/atom

21.60

Å³

c/a Ratio

0.9991

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.9851

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.012560

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ag · 0.364

Element Family

4d-TM

Solute Fraction

0.636

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0901

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0628

J/mol·K

Ω Parameter

0.2859

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.123%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3801

smaller = more stable mixing

VEC

6.273

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-37.428

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9922

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.608

Family

Ag-rich Multi-Component

Matrix Element

Ag · 0.364

Related Tasks

Related computation task IDs (5)

aaadnnpl aaadssuj aaaetwdx aaafcfvd aaagalwg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-640597

Reference Citation

The crystal structure and related material properties of Ce3(AgGe)4 were obtained from the Materials Project database (MP-ID: mp-640597, 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(AgGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53442409
_cell_length_b   8.52390953
_cell_length_c   8.52677048
_cell_angle_alpha   149.50379176
_cell_angle_beta   130.44865332
_cell_angle_gamma   59.30801590
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3(AgGe)4
_chemical_formula_sum   'Ce3 Ag4 Ge4'
_cell_volume   237.64544988
_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  0.13097821  0.12990702  0.00061186  1.0
  Ce  Ce1  1  0.86901781  0.87009091  0.99938539  1.0
  Ce  Ce2  1  0.50002291  0.00002077  0.50000103  1.0
  Ag  Ag3  1  0.13811966  0.33244125  0.80562367  1.0
  Ag  Ag4  1  0.86189206  0.66755312  0.19440401  1.0
  Ag  Ag5  1  0.47333286  0.66738691  0.80676755  1.0
  Ag  Ag6  1  0.52663542  0.33259819  0.19320725  1.0
  Ge  Ge7  1  0.17832763  0.49973054  0.67857706  1.0
  Ge  Ge8  1  0.28378777  0.78379858  0.49989202  1.0
  Ge  Ge9  1  0.82166839  0.50026792  0.32142234  1.0
  Ge  Ge10  1  0.71621728  0.21620479  0.50010782  1.0

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