EuAl5CuNi

High-Entropy Materials HEA

MP-ID: mp-3252194 · Space group: Imm2 (#44)

Materials Project API

Basic Information

Formula

EuAl5CuNi

MP-ID

mp-3252194

Elements

Sites

Density

4.9756

g/cm³

Volume

136.54

Å³

Cell a

6.3095

Cell b

6.3095

Cell c

6.3095

α Angle

143.15

β Angle

111.45

γ Angle

80.45

Space Group

Imm2

Point Group

mm2

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
15.49	5.7192	49.7	(0,1,-1)
24.15	3.6849	36.5	(0,1,0)
25.06	3.5534	57.3	(1,-1,1)
25.61	3.4779	1.8	(1,-1,0)
30.55	2.9266	45.9	(1,2,-2)
31.28	2.8596	3.5	(0,2,-2)
31.28	2.8596	3.5	(2,0,0)
31.73	2.8198	33.3	(0,2,-1)
31.73	2.8198	100.0	(1,1,-2)
35.08	2.5579	92.2	(1,-2,1)
35.90	2.5014	27.5	(1,2,-1)
35.90	2.5014	27.5	(2,1,-2)
37.33	2.4087	20.3	(2,2,-2)
39.16	2.3004	9.3	(1,-2,2)
39.16	2.3004	9.3	(2,-1,1)
44.28	2.0454	2.8	(0,3,-2)
44.28	2.0454	2.8	(3,0,-1)
44.48	2.0367	2.4	(2,-2,1)
44.48	2.0367	2.4	(1,-1,2)
45.49	1.9941	36.4	(1,-1,-1)
45.49	1.9938	26.9	(1,3,-3)
45.49	1.9938	26.9	(3,1,-1)
48.34	1.8829	6.3	(1,0,-2)
48.53	1.8759	15.0	(1,-3,2)

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Energy Properties

Formation Energy/atom

-0.47135

eV/atom

Energy/atom

-12.34759

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-12.3476

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

6.8813

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.050400

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.625

Element Family

PostTransition-Noble

Solute Fraction

0.375

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0735

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.9254

J/mol·K

Ω Parameter

1.4236

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.882%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2056

smaller = more stable mixing

VEC

5.375

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-6.938

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7744

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahdayk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3252194

Reference Citation

The crystal structure and related material properties of EuAl5CuNi were obtained from the Materials Project database (MP-ID: mp-3252194, 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_EuAl5CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30948784
_cell_length_b   6.30948938
_cell_length_c   6.30948898
_cell_angle_alpha   143.15248304
_cell_angle_beta   111.44828786
_cell_angle_gamma   80.45073522
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuAl5CuNi
_chemical_formula_sum   'Eu1 Al5 Cu1 Ni1'
_cell_volume   136.53637808
_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  0.99963751  0.99963751  1.00000000  1.0
  Al  Al1  1  0.49926897  0.99926897  0.50000000  1.0
  Al  Al2  1  0.84944556  0.65621983  0.19322373  1.0
  Al  Al3  1  0.52522369  0.34114300  0.18408069  1.0
  Al  Al4  1  0.46299610  0.65621983  0.80677627  1.0
  Al  Al5  1  0.15706231  0.34114300  0.81591931  1.0
  Cu  Cu6  1  0.74275999  0.24275999  0.50000000  1.0
  Ni  Ni7  1  0.26360786  0.76360786  0.50000000  1.0

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