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Eu(Al2Cu)4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1104923 · Space group: I4/mmm (#139)

Basic Information

Formula
Eu(Al2Cu)4
MP-ID
mp-1104923
Elements
3
Sites
13
Density
5.2316
g/cm³
Volume
197.43
ų
Cell a
6.7206
Å
Cell b
6.7206
Å
Cell c
6.7189
Å
α Angle
98.32
°
β Angle
98.32
°
γ Angle
135.29
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
14.25 6.2156 32.8 (1,-1,0)
14.25 6.2134 32.7 (0,0,1)
20.09 4.4191 33.0 (1,0,-1)
20.10 4.4187 16.4 (0,1,0)
20.10 4.4187 16.4 (1,0,0)
20.21 4.3943 10.4 (1,-1,-1)
20.21 4.3943 10.4 (1,-1,1)
28.65 3.1162 24.7 (2,-1,-1)
28.65 3.1161 12.4 (1,-2,0)
28.65 3.1161 12.4 (2,-1,0)
28.65 3.1158 12.4 (1,0,-2)
28.65 3.1158 12.4 (0,1,-2)
28.65 3.1154 12.3 (0,1,1)
28.65 3.1154 12.3 (1,0,1)
28.73 3.1078 50.3 (2,-2,0)
28.74 3.1067 50.3 (0,0,2)
32.21 2.7795 10.5 (2,-2,-1)
32.21 2.7795 10.5 (2,-2,1)
32.21 2.7789 10.5 (1,-1,-2)
32.21 2.7789 10.5 (1,-1,2)
35.11 2.5560 2.9 (1,1,-1)
35.31 2.5419 18.4 (2,-1,-2)
35.31 2.5419 18.4 (1,-2,2)
35.31 2.5417 18.4 (1,-2,-1)
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Energy Properties

Formation Energy/atom
-0.29434
eV/atom
Energy/atom
-4.65200
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-10.7663
eV/atom
Volume/atom
15.19
ų
c/a Ratio
0.9997

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
6.9752
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.035330
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Al · 0.615
Element Family
PostTransition-Noble
Solute Fraction
0.385
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8587
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.1396
J/mol·K
Ω Parameter
10.1509
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
10.061%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.1884
smaller = more stable mixing
VEC
5.769
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.757
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7817
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.759
Family
Al-based Alloy
Matrix Element
Al · 0.615

Related Tasks

Related computation task IDs (4)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1104923
Reference Citation

The crystal structure and related material properties of Eu(Al2Cu)4 were obtained from the Materials Project database (MP-ID: mp-1104923, 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

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Eu(Al2Cu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72063418
_cell_length_b   6.72063627
_cell_length_c   6.71885897
_cell_angle_alpha   98.32155689
_cell_angle_beta   98.32162084
_cell_angle_gamma   135.29221991
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu(Al2Cu)4
_chemical_formula_sum   'Eu1 Al8 Cu4'
_cell_volume   197.42681141
_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  0.00010665  0.34866932  0.34865745  1.0
  Al  Al2  1  0.99989335  0.65133068  0.65134255  1.0
  Al  Al3  1  0.65133068  0.99989335  0.65134255  1.0
  Al  Al4  1  0.34866932  0.00010665  0.34865745  1.0
  Al  Al5  1  0.50007238  0.27837295  0.77826032  1.0
  Al  Al6  1  0.49992762  0.72162705  0.22173968  1.0
  Al  Al7  1  0.72162705  0.49992762  0.22173968  1.0
  Al  Al8  1  0.27837295  0.50007238  0.77826032  1.0
  Cu  Cu9  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu10  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu11  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu12  1  0.00000000  0.50000000  0.00000000  1.0
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