Eu3AlO5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1019729 · Space group: I4/mcm (#140)

Materials Project API

Basic Information

Formula

Eu3AlO5

MP-ID

mp-1019729

Elements

Sites

Density

7.4701

g/cm³

Volume

250.24

Å³

Cell a

7.3113

Cell b

7.3113

Cell c

7.3113

α Angle

125.41

β Angle

125.41

γ Angle

80.86

Space Group

I4/mcm

Point Group

4/mmm

Crystal System

Tetragonal

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
15.92	5.5654	14.6	(1,1,-1)
18.71	4.7415	4.4	(1,-1,0)
24.67	3.6092	36.2	(2,0,-1)
30.88	2.8956	57.5	(2,-1,-1)
31.14	2.8719	100.0	(2,0,-2)
32.17	2.7827	37.9	(2,2,-2)
37.47	2.3999	5.6	(2,2,-3)
37.95	2.3708	24.5	(2,-2,0)
38.60	2.3323	64.0	(3,0,-2)
42.64	2.1205	33.0	(2,-2,1)
49.11	1.8551	2.0	(3,3,-3)
49.70	1.8344	1.9	(3,-2,-1)
50.58	1.8046	20.2	(4,0,-2)
51.10	1.7875	19.5	(4,1,-3)
53.01	1.7276	6.5	(3,3,-4)
54.40	1.6866	20.4	(4,0,-3)
56.71	1.6232	20.1	(4,2,-4)
57.25	1.6093	19.2	(3,-2,-2)
57.41	1.6052	7.2	(3,-1,-3)
58.39	1.5805	2.6	(3,-3,0)
60.94	1.5204	18.6	(4,-2,-1)
61.88	1.4994	7.1	(3,-3,1)
62.34	1.4895	18.4	(4,-1,-3)
64.35	1.4478	3.3	(4,-2,-2)

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Energy Properties

Formation Energy/atom

-3.32588

eV/atom

Energy/atom

-9.92029

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-9.5386

eV/atom

Volume/atom

13.90

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

40.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.159850

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

0.9369

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.7893

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

52.461%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0687

smaller = more stable mixing

VEC

4.889

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8528

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.503

Family

O-rich Multi-Component

Matrix Element

O · 0.556

Related Tasks

Related computation task IDs (5)

aaadddej aaadnfgj aaadtejt aaaeudel aaafwvgs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1019729

Reference Citation

The crystal structure and related material properties of Eu3AlO5 were obtained from the Materials Project database (MP-ID: mp-1019729, 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_Eu3AlO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31131488
_cell_length_b   7.31131488
_cell_length_c   7.31131488
_cell_angle_alpha   125.40986480
_cell_angle_beta   125.40986480
_cell_angle_gamma   80.86025301
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu3AlO5
_chemical_formula_sum   'Eu6 Al2 O10'
_cell_volume   250.24236004
_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  0.75000000  0.75000000  0.00000000  1.0
  Eu  Eu1  1  0.25000000  0.25000000  0.00000000  1.0
  Eu  Eu2  1  0.17823300  0.67823300  0.85646600  1.0
  Eu  Eu3  1  0.82176700  0.32176700  0.14353400  1.0
  Eu  Eu4  1  0.67823300  0.82176700  0.50000000  1.0
  Eu  Eu5  1  0.32176700  0.17823300  0.50000000  1.0
  Al  Al6  1  0.75000000  0.25000000  0.50000000  1.0
  Al  Al7  1  0.25000000  0.75000000  0.50000000  1.0
  O  O8  1  0.00000000  0.00000000  0.00000000  1.0
  O  O9  1  0.50000000  0.50000000  0.00000000  1.0
  O  O10  1  0.79254600  0.29254600  0.78735300  1.0
  O  O11  1  0.50519300  0.00519300  0.21264700  1.0
  O  O12  1  0.29254600  0.50519300  0.50000000  1.0
  O  O13  1  0.00519300  0.79254600  0.50000000  1.0
  O  O14  1  0.20745400  0.70745400  0.21264700  1.0
  O  O15  1  0.49480700  0.99480700  0.78735300  1.0
  O  O16  1  0.70745400  0.49480700  0.50000000  1.0
  O  O17  1  0.99480700  0.20745400  0.50000000  1.0

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