Eu2Fe2O5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-861621 · Space group: P4/mmm (#123)

Materials Project API

Basic Information

Formula

Eu2Fe2O5

MP-ID

mp-861621

Elements

Sites

Density

6.9917

g/cm³

Volume

117.71

Å³

Cell a

3.9612

Cell b

3.9612

Cell c

7.5015

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

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
22.44	3.9612	21.3	(1,0,0)
23.72	3.7507	6.6	(0,0,2)
31.95	2.8010	45.5	(1,1,0)
32.89	2.7236	100.0	(1,0,2)
40.18	2.2443	23.9	(1,1,2)
45.81	1.9806	29.6	(2,0,0)
48.55	1.8754	10.9	(0,0,4)
51.59	1.7715	5.3	(2,1,0)
52.23	1.7514	4.0	(2,0,2)
54.11	1.6950	4.8	(1,0,4)
57.54	1.6018	39.6	(2,1,2)
59.30	1.5583	17.5	(1,1,4)
66.80	1.4005	8.9	(2,2,0)
68.96	1.3618	14.5	(2,0,4)
71.44	1.3204	1.1	(3,0,0)
71.97	1.3120	1.8	(2,2,2)
73.54	1.2878	4.2	(2,1,4)
75.97	1.2527	7.8	(3,1,0)
76.48	1.2455	8.5	(3,0,2)
80.57	1.1923	7.2	(1,0,6)
80.91	1.1881	5.9	(3,1,2)
84.95	1.1417	2.1	(1,1,6)
86.79	1.1221	7.8	(2,2,4)
89.13	1.0987	1.4	(3,2,0)

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Energy Properties

Formation Energy/atom

-2.35896

eV/atom

Energy/atom

-9.27630

eV/atom

Energy above Hull

0.2135

eV/atom

Uncorrected Energy

-8.3933

eV/atom

Volume/atom

13.08

Å³

c/a Ratio

1.8937

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

22.5401

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.191490

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.556

Element Family

Metalloid-Nonmetal

Solute Fraction

0.444

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9950

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.2727

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

50.142%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9793

smaller = more stable mixing

VEC

5.556

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9057

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.321

Family

O-rich Multi-Component

Matrix Element

O · 0.556

Related Tasks

Related computation task IDs (5)

aaachvla aaadvvjl aaadysvq aaaeqexz aaafbeaa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-861621

Reference Citation

The crystal structure and related material properties of Eu2Fe2O5 were obtained from the Materials Project database (MP-ID: mp-861621, 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_Eu2Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96124500
_cell_length_b   3.96124500
_cell_length_c   7.50145000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2Fe2O5
_chemical_formula_sum   'Eu2 Fe2 O5'
_cell_volume   117.70871725
_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
  Eu  Eu1  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.50000000  0.50000000  0.24021800  1.0
  Fe  Fe3  1  0.50000000  0.50000000  0.75978200  1.0
  O  O4  1  0.50000000  0.00000000  0.21142300  1.0
  O  O5  1  0.50000000  0.00000000  0.78857700  1.0
  O  O6  1  0.50000000  0.50000000  0.50000000  1.0
  O  O7  1  0.00000000  0.50000000  0.21142300  1.0
  O  O8  1  0.00000000  0.50000000  0.78857700  1.0

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