Eu(Cu2As)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-10442 · Space group: R-3m (#166)

Materials Project API

Basic Information

Formula

Eu(Cu2As)2

MP-ID

mp-10442

Elements

Sites

Density

8.1226

g/cm³

Volume

113.66

Å³

Cell a

8.0405

Cell b

8.0405

Cell c

8.0405

α Angle

29.80

β Angle

29.80

γ Angle

29.80

Space Group

R-3m

Point Group

-3m

Crystal System

Trigonal

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
11.53	7.6780	2.9	(1,1,1)
25.17	3.5381	14.6	(1,0,0)
26.06	3.4191	1.5	(1,1,0)
26.06	3.4191	3.0	(1,0,1)
29.37	3.0407	33.5	(2,1,1)
31.65	2.8271	22.0	(2,2,1)
35.06	2.5593	9.1	(3,3,3)
37.11	2.4228	83.3	(3,2,2)
40.19	2.2438	7.1	(3,3,2)
40.19	2.2438	14.2	(3,2,3)
43.79	2.0672	100.0	(1,0,-1)
46.90	1.9372	14.2	(4,3,3)
47.36	1.9195	6.4	(4,4,4)
50.49	1.8076	1.1	(4,4,3)
50.49	1.8076	2.1	(4,3,4)
51.18	1.7849	2.2	(1,1,-1)
53.61	1.7096	2.1	(2,2,0)
53.61	1.7096	4.2	(2,0,2)
55.03	1.6687	4.5	(3,1,1)
57.29	1.6082	4.3	(4,3,2)
57.29	1.6082	8.5	(4,2,3)
58.08	1.5881	6.0	(5,4,4)
58.71	1.5726	6.9	(3,3,1)
58.71	1.5726	13.8	(3,1,3)

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Energy Properties

Formation Energy/atom

-0.37066

eV/atom

Energy/atom

-5.51712

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.3437

eV/atom

Volume/atom

16.24

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.9454

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.061110

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cu · 0.571

Element Family

3d-TM

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.763%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3033

smaller = more stable mixing

VEC

8.143

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.647

Family

Cu-based Alloy

Matrix Element

Cu · 0.571

Related Tasks

Related computation task IDs (5)

aaadmnet aaadsmbs aaaekunw aaaeuolh aaafxgqu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10442

Reference Citation

The crystal structure and related material properties of Eu(Cu2As)2 were obtained from the Materials Project database (MP-ID: mp-10442, 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_Eu(Cu2As)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04052847
_cell_length_b   8.04052847
_cell_length_c   8.04052808
_cell_angle_alpha   29.79631771
_cell_angle_beta   29.79631771
_cell_angle_gamma   29.79631469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu(Cu2As)2
_chemical_formula_sum   'Eu1 Cu4 As2'
_cell_volume   113.66313809
_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
  Cu  Cu1  1  0.43970012  0.43970012  0.43970012  1.0
  Cu  Cu2  1  0.14604863  0.14604863  0.14604863  1.0
  Cu  Cu3  1  0.56029988  0.56029988  0.56029988  1.0
  Cu  Cu4  1  0.85395137  0.85395137  0.85395137  1.0
  As  As5  1  0.25112187  0.25112187  0.25112187  1.0
  As  As6  1  0.74887813  0.74887813  0.74887813  1.0

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