Eu2AlNO3

High-Entropy Materials HEA

MP-ID: mp-1025206 · Space group: I4mm (#107)

Materials Project API

Basic Information

Formula

Eu2AlNO3

MP-ID

mp-1025206

Elements

Sites

Density

7.5107

g/cm³

Volume

86.87

Å³

Cell a

6.7608

Cell b

6.7608

Cell c

6.7608

α Angle

147.92

β Angle

147.92

γ Angle

46.00

Space Group

I4mm

Point Group

4mm

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
24.88	3.5784	53.9	(1,0,-1)
28.69	3.1116	23.4	(2,2,-2)
32.24	2.7763	100.0	(2,1,-2)
33.93	2.6419	63.7	(1,-1,0)
36.96	2.4318	7.7	(2,0,-1)
43.63	2.0744	11.5	(3,3,-3)
43.70	2.0716	6.0	(3,2,-3)
45.01	2.0139	45.1	(3,1,-2)
48.75	1.8681	31.7	(1,-1,1)
55.49	1.6560	12.9	(2,-1,-1)
56.39	1.6316	13.2	(4,2,-3)
57.39	1.6055	18.2	(4,3,-4)
57.55	1.6016	13.8	(3,1,-3)
59.41	1.5558	2.9	(4,4,-4)
59.66	1.5499	35.9	(3,0,-2)
67.47	1.3882	11.6	(4,2,-4)
67.52	1.3873	3.1	(4,1,-3)
70.21	1.3406	4.4	(5,3,-4)
71.41	1.3209	9.6	(2,-2,0)
76.54	1.2446	1.7	(5,5,-5)
76.94	1.2392	2.6	(2,-1,-2)
78.56	1.2176	15.1	(5,2,-4)
78.70	1.2159	5.8	(4,0,-2)
80.31	1.1955	4.9	(5,3,-5)

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Energy Properties

Formation Energy/atom

-2.64037

eV/atom

Energy/atom

-9.42665

eV/atom

Energy above Hull

0.2729

eV/atom

Uncorrected Energy

-9.1322

eV/atom

Volume/atom

12.41

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

12.0018

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.138160

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.429

Element Family

Metalloid-Nonmetal

Solute Fraction

0.571

Interstitial Fraction

0.143

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2770

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.6173

J/mol·K

Ω Parameter

1.0402

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

49.998%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0080

smaller = more stable mixing

VEC

4.857

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.898

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9212

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (5)

aaadolae aaadtoco aaadxnrf aaaesnnl aaafbnau

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1025206

Reference Citation

The crystal structure and related material properties of Eu2AlNO3 were obtained from the Materials Project database (MP-ID: mp-1025206, 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_Eu2AlNO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76076625
_cell_length_b   6.76076625
_cell_length_c   6.76076625
_cell_angle_alpha   147.91952985
_cell_angle_beta   147.91952985
_cell_angle_gamma   46.00417043
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2AlNO3
_chemical_formula_sum   'Eu2 Al1 N1 O3'
_cell_volume   86.86955997
_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  0.52041500  0.52041500  0.00000000  1.0
  Eu  Eu1  1  0.80740700  0.80740700  0.00000000  1.0
  Al  Al2  1  0.16550000  0.16550000  0.00000000  1.0
  N  N3  1  0.99701600  0.99701600  0.00000000  1.0
  O  O4  1  0.66684000  0.16684000  0.50000000  1.0
  O  O5  1  0.16684000  0.66684000  0.50000000  1.0
  O  O6  1  0.32868100  0.32868100  0.00000000  1.0

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