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Eu2AlNO3

High-Entropy Materials HEA

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

Basic Information

Formula
Eu2AlNO3
MP-ID
mp-1025206
Elements
4
Sites
7
Density
7.5107
g/cm³
Volume
86.87
ų
Cell a
6.7608
Å
Cell b
6.7608
Å
Cell c
6.7608
Å
α Angle
147.92
°
β Angle
147.92
°
γ Angle
46.00
°
Space Group
I4mm
Point Group
4mm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
No
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
24.88 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
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
12.0018
μB
Mag. Ordering
FiM
Mag. Sites
3
Magnetization/Volume
0.138160
μB/ų

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
0
Phase Tendency
IM

Related Tasks

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

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_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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