CeGaGe

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025144 · Space group: I4_1md (#109)

Materials Project API

Basic Information

Formula

CeGaGe

MP-ID

mp-1025144

Elements

Sites

Density

7.0323

g/cm³

Volume

133.40

Å³

Cell a

7.9456

Cell b

7.9456

Cell c

7.9456

α Angle

148.90

β Angle

148.90

γ Angle

44.55

Space Group

I4_1md

Point Group

4mm

Crystal System

Tetragonal

Bravais Lattice

Stability

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 23)

2θ	d (Å)	I	hkl
24.21	3.6763	4.8	(2,2,-2)
27.75	3.2152	30.8	(2,1,-2)
32.11	2.7872	100.0	(2,0,-1)
37.15	2.4202	52.8	(3,2,-3)
42.44	2.1298	41.9	(1,-1,1)
48.31	1.8841	25.0	(4,3,-4)
49.46	1.8429	2.8	(3,1,-3)
51.47	1.7756	11.1	(3,0,-2)
57.65	1.5989	29.0	(4,1,-3)
60.71	1.5255	3.5	(5,4,-5)
61.58	1.5060	13.7	(2,-2,0)
66.23	1.4112	19.1	(5,2,-4)
67.17	1.3936	1.1	(4,0,-2)
67.28	1.3915	1.1	(5,3,-5)
68.84	1.3638	2.3	(3,0,-3)
71.16	1.3249	19.6	(3,-1,-2)
71.38	1.3214	9.6	(6,4,-5)
74.16	1.2786	6.8	(4,1,-4)
76.87	1.2402	3.5	(6,3,-5)
77.97	1.2254	3.4	(6,6,-6)
81.89	1.1764	5.2	(5,2,-5)
84.33	1.1485	2.7	(4,-1,-2)
89.37	1.0963	8.6	(5,0,-3)

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Energy Properties

Formation Energy/atom

-0.61712

eV/atom

Energy/atom

-5.14648

eV/atom

Energy above Hull

0.0067

eV/atom

Uncorrected Energy

-5.1465

eV/atom

Volume/atom

22.23

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9912

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.014930

μB/Å³

Elastic Properties

K_VRH

66.669

GPa

G_VRH

-7.658

GPa

Young's Modulus E

GPa

Poisson Ratio ν

0.560

Pugh Ratio K/G

-8.706

Vickers Hardness Est.

GPa

Ductility

Ductile

Anisotropy

-7.738

Lame λ

71.774

GPa

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

0.2170

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.694%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3813

smaller = more stable mixing

VEC

3.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-36.237

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.425

Family

Ce-rich Multi-Component

Matrix Element

Ce · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

-7.7380

Homogeneous Poisson ν

0.5600

Homogeneity

0.5600

Related Tasks

Related computation task IDs (5)

aaadonpu aaadwdew aaaefxzf aaaepsxa aaafblio

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025144

Reference Citation

The crystal structure and related material properties of CeGaGe were obtained from the Materials Project database (MP-ID: mp-1025144, 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

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Raw CIF Data

# generated using pymatgen
data_CeGaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94563961
_cell_length_b   7.94563961
_cell_length_c   7.94563961
_cell_angle_alpha   148.90439682
_cell_angle_beta   148.90439682
_cell_angle_gamma   44.55204817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeGaGe
_chemical_formula_sum   'Ce2 Ga2 Ge2'
_cell_volume   133.40365150
_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  0.58209200  0.58209200  0.00000000  1.0
  Ce  Ce1  1  0.33209200  0.83209200  0.50000000  1.0
  Ga  Ga2  1  0.16563700  0.16563700  0.00000000  1.0
  Ga  Ga3  1  0.91563700  0.41563700  0.50000000  1.0
  Ge  Ge4  1  0.99927000  0.99927000  0.00000000  1.0
  Ge  Ge5  1  0.74927000  0.24927000  0.50000000  1.0

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