Eu2Ni2O5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1076223 · Space group: Ima2 (#46)

Materials Project API

Basic Information

Formula

Eu2Ni2O5

MP-ID

mp-1076223

Elements

Sites

Density

7.2322

g/cm³

Volume

230.21

Å³

Cell a

8.6908

Cell b

8.6908

Cell c

8.6908

α Angle

144.40

β Angle

142.70

γ Angle

52.51

Space Group

Ima2

Point Group

mm2

Crystal System

Orthorhombic

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
11.35	7.7941	11.5	(1,1,-1)
22.82	3.8970	8.0	(2,2,-2)
23.16	3.8410	21.5	(0,0,1)
23.44	3.7957	3.5	(2,1,-1)
25.86	3.4453	3.3	(1,1,0)
32.21	2.7790	32.3	(1,-1,1)
32.74	2.7356	100.0	(2,2,-1)
32.94	2.7191	1.8	(3,2,-2)
33.73	2.6570	32.7	(1,-1,-1)
34.52	2.5980	3.3	(3,3,-3)
36.95	2.4325	1.9	(1,0,1)
39.84	2.2627	9.6	(3,1,-1)
41.12	2.1953	9.0	(1,3,-1)
41.48	2.1767	1.9	(1,2,0)
41.98	2.1520	14.2	(3,3,-2)
46.61	1.9485	11.8	(4,4,-4)
47.33	1.9205	27.7	(0,0,2)
47.93	1.8979	3.7	(4,2,-2)
48.84	1.8647	2.6	(1,1,1)
49.04	1.8576	4.1	(2,4,-2)
52.29	1.7494	3.3	(1,-1,2)
52.43	1.7451	3.2	(3,0,0)
52.67	1.7377	1.4	(4,4,-3)
53.17	1.7227	4.8	(2,2,0)

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Energy Properties

Formation Energy/atom

-2.05927

eV/atom

Energy/atom

-8.37886

eV/atom

Energy above Hull

0.3961

eV/atom

Uncorrected Energy

-7.4325

eV/atom

Volume/atom

12.79

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

34.1214

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.148220

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

50.167%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9661

smaller = more stable mixing

VEC

6.000

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

0.303

Family

O-rich Multi-Component

Matrix Element

O · 0.556

Related Tasks

Related computation task IDs (2)

aaacjgep aaadxbgx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076223

Reference Citation

The crystal structure and related material properties of Eu2Ni2O5 were obtained from the Materials Project database (MP-ID: mp-1076223, 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

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Raw CIF Data

# generated using pymatgen
data_Eu2Ni2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69082209
_cell_length_b   8.69082209
_cell_length_c   8.69082209
_cell_angle_alpha   144.39614337
_cell_angle_beta   142.70226268
_cell_angle_gamma   52.51461884
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2Ni2O5
_chemical_formula_sum   'Eu4 Ni4 O10'
_cell_volume   230.20500733
_cell_formula_units_Z   2
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  0.87241300  0.38663800  0.47840900  1.0
  Eu  Eu1  1  0.12758700  0.60599600  0.51422500  1.0
  Eu  Eu2  1  0.40822900  0.88663800  0.51422500  1.0
  Eu  Eu3  1  0.59177100  0.10599600  0.47840900  1.0
  Ni  Ni4  1  0.00000000  0.98805500  0.98805500  1.0
  Ni  Ni5  1  0.50000000  0.48805500  0.98805500  1.0
  Ni  Ni6  1  0.80821300  0.77993700  0.08815000  1.0
  Ni  Ni7  1  0.19178700  0.27993700  0.97172400  1.0
  O  O8  1  0.75964200  0.75496700  0.48756000  1.0
  O  O9  1  0.24035800  0.72791800  0.99532500  1.0
  O  O10  1  0.76740700  0.25496700  0.99532500  1.0
  O  O11  1  0.23259300  0.22791800  0.48756000  1.0
  O  O12  1  0.80151500  0.83296200  0.90419700  1.0
  O  O13  1  0.19848500  0.10268200  0.03144700  1.0
  O  O14  1  0.42876500  0.33296200  0.03144700  1.0
  O  O15  1  0.57123500  0.60268200  0.90419700  1.0
  O  O16  1  0.85086000  0.15684600  0.50770600  1.0
  O  O17  1  0.14914000  0.65684600  0.30598600  1.0

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