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Eu(FeSi)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-582357 · Space group: I4/mmm (#139)

Basic Information

Formula
Eu(FeSi)2
MP-ID
mp-582357
Elements
3
Sites
5
Density
6.7156
g/cm³
Volume
79.08
ų
Cell a
5.8342
Å
Cell b
5.8342
Å
Cell c
5.8342
Å
α Angle
140.68
°
β Angle
140.68
°
γ Angle
56.82
°
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
24.27 3.6666 53.6 (1,0,-1)
32.25 2.7759 8.6 (1,-1,0)
34.78 2.5791 67.9 (2,1,-2)
34.97 2.5658 19.4 (2,2,-2)
36.81 2.4415 100.0 (2,0,-1)
46.25 1.9628 39.7 (1,-1,1)
50.15 1.8190 18.5 (3,2,-3)
52.91 1.7305 13.7 (2,-1,-1)
59.15 1.5620 28.7 (3,0,-2)
59.27 1.5590 16.0 (3,1,-3)
63.93 1.4562 23.3 (4,2,-3)
67.48 1.3879 12.4 (2,-2,0)
68.29 1.3735 2.4 (4,3,-4)
70.60 1.3342 13.4 (4,1,-3)
72.87 1.2981 2.7 (2,-1,-2)
73.87 1.2829 4.5 (4,4,-4)
76.78 1.2414 1.8 (2,-2,1)
78.21 1.2222 6.5 (3,0,-3)
78.32 1.2208 6.9 (4,0,-2)
79.42 1.2066 19.8 (3,-1,-2)
82.91 1.1645 1.3 (4,4,-5)
86.48 1.1253 2.6 (5,2,-4)
88.64 1.1034 3.9 (4,1,-4)
89.50 1.0951 2.5 (5,4,-5)
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Energy Properties

Formation Energy/atom
-0.45232
eV/atom
Energy/atom
-8.06808
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.2994
eV/atom
Volume/atom
15.82
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
4.9204
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.062220
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Fe · 0.400
Element Family
3d-TM
Solute Fraction
0.600
Interstitial Fraction
0.400

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0549
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.7706
J/mol·K
Ω Parameter
0.6339
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
19.163%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2678
smaller = more stable mixing
VEC
6.200
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-22.400
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9602
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.606
Family
Fe-rich Multi-Component
Matrix Element
Fe · 0.400

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-582357
Reference Citation

The crystal structure and related material properties of Eu(FeSi)2 were obtained from the Materials Project database (MP-ID: mp-582357, 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(FeSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83422013
_cell_length_b   5.83422013
_cell_length_c   5.83422013
_cell_angle_alpha   140.68029105
_cell_angle_beta   140.68029105
_cell_angle_gamma   56.82181580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu(FeSi)2
_chemical_formula_sum   'Eu1 Fe2 Si2'
_cell_volume   79.08180634
_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
  Fe  Fe1  1  0.75000000  0.25000000  0.50000000  1.0
  Fe  Fe2  1  0.25000000  0.75000000  0.50000000  1.0
  Si  Si3  1  0.36414815  0.36414815  -0.00000000  1.0
  Si  Si4  1  0.63585185  0.63585185  0.00000000  1.0
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