EuAl3Cu2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1025136 · Space group: P6/mmm (#191)

Materials Project API

Basic Information

Formula

EuAl3Cu2

MP-ID

mp-1025136

Elements

Sites

Density

5.7740

g/cm³

Volume

103.53

Å³

Cell a

4.0701

Cell b

5.4196

Cell c

5.4199

α Angle

120.00

β Angle

90.00

γ Angle

90.00

Space Group

P6/mmm

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
18.91	4.6937	8.9	(0,1,-1,-1)
18.91	4.6936	9.1	(0,0,0,1)
18.91	4.6933	9.2	(0,1,-1,0)
21.84	4.0701	100.0	(1,0,-1,0)
29.04	3.0750	27.9	(1,1,-2,-1)
29.04	3.0750	28.2	(1,0,-1,1)
29.04	3.0749	28.2	(1,1,-2,0)
33.06	2.7100	57.9	(0,1,-1,-2)
33.06	2.7098	57.9	(0,2,-2,-1)
33.06	2.7097	57.9	(0,1,-1,1)
38.35	2.3469	15.0	(0,2,-2,-2)
38.36	2.3468	14.8	(0,0,0,2)
38.36	2.3467	14.8	(0,2,-2,0)
39.97	2.2557	99.2	(1,-1,0,2)
39.97	2.2556	99.2	(1,2,-3,-1)
39.97	2.2556	99.2	(1,1,-2,1)
44.52	2.0351	49.4	(2,0,-2,0)
48.77	1.8671	1.8	(2,1,-3,-1)
48.77	1.8671	1.9	(2,0,-2,1)
48.77	1.8671	1.9	(2,1,-3,0)
56.56	1.6273	23.9	(2,1,-3,-2)
56.56	1.6273	23.9	(2,2,-4,-1)
56.56	1.6272	23.9	(2,1,-3,1)
56.59	1.6263	4.4	(1,2,-3,-3)

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Energy Properties

Formation Energy/atom

-0.37080

eV/atom

Energy/atom

-5.32467

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.8025

eV/atom

Volume/atom

17.26

Å³

c/a Ratio

1.3316

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.9161

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.066800

μB/Å³

Elastic Properties

K_VRH

79.760

GPa

G_VRH

56.864

GPa

Young's Modulus E

137.836

GPa

Poisson Ratio ν

0.212

Pugh Ratio K/G

1.403

Vickers Hardness Est.

11.311

GPa

Ductility

Ductile

Anisotropy

0.099

Lame λ

41.851

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0114

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.4088

J/mol·K

Ω Parameter

13.9071

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.176%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2350

smaller = more stable mixing

VEC

6.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.667

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9206

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.656

Family

Al-based Alloy

Matrix Element

Al · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0990

Homogeneous Poisson ν

0.2120

Debye Temperature

479.7

Sound Velocity

3,469.0

m/s

Homogeneity

0.2120

Related Tasks

Related computation task IDs (5)

aaadolim aaadwcwb aaaelyad aaaeqjui aaafbish

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025136

Reference Citation

The crystal structure and related material properties of EuAl3Cu2 were obtained from the Materials Project database (MP-ID: mp-1025136, 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_EuAl3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07009126
_cell_length_b   5.41960185
_cell_length_c   5.41991185
_cell_angle_alpha   120.00384232
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuAl3Cu2
_chemical_formula_sum   'Eu1 Al3 Cu2'
_cell_volume   103.53270675
_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
  Eu  Eu0  1  0.00000000  0.00000000  -0.00000000  1.0
  Al  Al1  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al2  1  0.50000000  -0.00000000  0.50000000  1.0
  Al  Al3  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu4  1  -0.00000000  0.66699558  0.33312426  1.0
  Cu  Cu5  1  -0.00000000  0.33300442  0.66687574  1.0

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