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Eu2Cu6P5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1103514 · Space group: I4/mmm (#139)

Basic Information

Formula
Eu2Cu6P5
MP-ID
mp-1103514
Elements
3
Sites
13
Density
6.8546
g/cm³
Volume
203.51
ų
Cell a
12.7069
Å
Cell b
12.7069
Å
Cell c
12.7069
Å
α Angle
161.64
°
β Angle
161.64
°
γ Angle
26.08
°
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
14.31 6.1896 2.2 (2,2,-2)
22.22 4.0013 27.2 (1,0,-1)
24.46 3.6391 33.5 (2,1,-2)
32.04 2.7931 16.8 (2,0,-1)
33.62 2.6653 69.4 (4,3,-4)
34.48 2.6015 100.0 (3,1,-2)
36.28 2.4758 32.2 (5,5,-5)
38.23 2.3545 86.2 (4,2,-3)
39.59 2.2764 12.6 (5,4,-5)
43.01 2.1032 12.4 (5,3,-4)
44.70 2.0273 82.5 (1,-1,1)
46.13 1.9679 10.5 (6,5,-6)
48.59 1.8738 10.2 (6,4,-5)
50.47 1.8084 6.5 (2,-1,-1)
51.61 1.7710 10.1 (3,0,-2)
53.13 1.7238 21.3 (7,6,-7)
54.82 1.6747 1.3 (7,5,-6)
57.08 1.6136 29.5 (5,2,-4)
58.88 1.5685 30.4 (6,4,-6)
61.22 1.5140 6.9 (6,3,-5)
61.62 1.5052 13.5 (8,6,-7)
65.07 1.4335 25.6 (2,-2,0)
66.18 1.4120 7.1 (7,4,-6)
68.45 1.3706 3.8 (9,8,-9)
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Energy Properties

Formation Energy/atom
-0.50354
eV/atom
Energy/atom
-6.06114
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-6.0611
eV/atom
Volume/atom
15.65
ų
c/a Ratio
1.0000

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
13.3914
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.065800
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cu · 0.462
Element Family
3d-TM
Solute Fraction
0.538
Interstitial Fraction
0.385

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0123
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.4165
J/mol·K
Ω Parameter
0.7771
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
19.193%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3282
smaller = more stable mixing
VEC
8.077
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-9.941
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9215
SS Former
0
Phase Tendency
IM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.646
Family
Cu-based Alloy
Matrix Element
Cu · 0.462

Related Tasks

Related computation task IDs (2)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1103514
Reference Citation

The crystal structure and related material properties of Eu2Cu6P5 were obtained from the Materials Project database (MP-ID: mp-1103514, 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_Eu2Cu6P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.70685853
_cell_length_b   12.70685853
_cell_length_c   12.70685853
_cell_angle_alpha   161.63926039
_cell_angle_beta   161.63926039
_cell_angle_gamma   26.07960003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2Cu6P5
_chemical_formula_sum   'Eu2 Cu6 P5'
_cell_volume   203.50923259
_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  0.64887600  0.64887600  0.00000000  1.0
  Eu  Eu1  1  0.35112400  0.35112400  0.00000000  1.0
  Cu  Cu2  1  0.44749800  0.94749800  0.50000000  1.0
  Cu  Cu3  1  0.94749800  0.44749800  0.50000000  1.0
  Cu  Cu4  1  0.55250200  0.05250200  0.50000000  1.0
  Cu  Cu5  1  0.05250200  0.55250200  0.50000000  1.0
  Cu  Cu6  1  0.75000000  0.25000000  0.50000000  1.0
  Cu  Cu7  1  0.25000000  0.75000000  0.50000000  1.0
  P  P8  1  0.50000000  0.50000000  0.00000000  1.0
  P  P9  1  0.89487800  0.89487800  0.00000000  1.0
  P  P10  1  0.10512200  0.10512200  0.00000000  1.0
  P  P11  1  0.80225900  0.80225900  0.00000000  1.0
  P  P12  1  0.19774100  0.19774100  0.00000000  1.0
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