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EuAl3(BO3)4

High-Entropy Materials HEA

MP-ID: mp-1019731 · Space group: R32 (#155)

Basic Information

Formula
EuAl3(BO3)4
MP-ID
mp-1019731
Elements
4
Sites
20
Density
4.1332
g/cm³
Volume
188.08
ų
Cell a
5.9526
Å
Cell b
5.9526
Å
Cell c
5.9526
Å
α Angle
104.03
°
β Angle
104.03
°
γ Angle
104.03
°
Space Group
R32
Point Group
32
Crystal System
Trigonal
Bravais Lattice
Trigonal R
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
16.20 5.4712 81.0 (1,0,0)
18.91 4.6918 49.6 (1,0,-1)
25.00 3.5616 65.2 (1,1,-1)
26.47 3.3672 28.6 (1,1,0)
31.54 2.8368 43.6 (2,0,-1)
32.74 2.7356 100.0 (2,0,0)
33.07 2.7088 25.0 (2,-1,-1)
38.08 2.3632 44.5 (2,1,-1)
38.37 2.3459 15.3 (2,0,-2)
38.37 2.3459 7.6 (2,-2,0)
41.36 2.1832 25.8 (2,1,0)
41.90 2.1561 37.5 (2,1,-2)
46.35 1.9591 16.0 (3,-1,-1)
47.22 1.9248 21.4 (3,0,-1)
50.01 1.8237 18.0 (3,0,0)
50.48 1.8078 11.8 (3,0,-2)
50.48 1.8078 5.9 (3,-2,0)
50.61 1.8037 9.2 (2,1,1)
51.31 1.7808 9.3 (2,2,-2)
51.54 1.7733 19.0 (3,-1,-2)
53.94 1.6998 27.8 (3,1,-1)
54.50 1.6836 17.4 (2,2,0)
55.17 1.6649 16.9 (3,1,-2)
58.11 1.5874 4.5 (3,-2,-2)
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Energy Properties

Formation Energy/atom
-3.13940
eV/atom
Energy/atom
-8.52030
eV/atom
Energy above Hull
0.0062
eV/atom
Uncorrected Energy
-8.1081
eV/atom
Volume/atom
9.40
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
6.0002
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.031900
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.200

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0627
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.8356
J/mol·K
Ω Parameter
5.1368
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
43.930%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.8373
smaller = more stable mixing
VEC
3.800
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.200
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7666
SS Former
0
Phase Tendency
IM

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1019731
Reference Citation

The crystal structure and related material properties of EuAl3(BO3)4 were obtained from the Materials Project database (MP-ID: mp-1019731, 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_EuAl3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95263053
_cell_length_b   5.95263053
_cell_length_c   5.95263074
_cell_angle_alpha   104.03237550
_cell_angle_beta   104.03237550
_cell_angle_gamma   104.03237246
_symmetry_Int_Tables_number   1
_chemical_formula_structural   EuAl3(BO3)4
_chemical_formula_sum   'Eu1 Al3 B4 O12'
_cell_volume   188.07954441
_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
  Al  Al1  1  0.00000000  0.44338400  0.55661600  1.0
  Al  Al2  1  0.44338400  0.55661600  0.00000000  1.0
  Al  Al3  1  0.55661600  0.00000000  0.44338400  1.0
  B  B4  1  0.50000000  0.50000000  0.50000000  1.0
  B  B5  1  0.50000000  0.05883500  0.94116500  1.0
  B  B6  1  0.05883500  0.94116500  0.50000000  1.0
  B  B7  1  0.94116500  0.50000000  0.05883500  1.0
  O  O8  1  0.50000000  0.64855700  0.35144300  1.0
  O  O9  1  0.64855700  0.35144300  0.50000000  1.0
  O  O10  1  0.35144300  0.50000000  0.64855700  1.0
  O  O11  1  0.50000000  0.90981300  0.09018700  1.0
  O  O12  1  0.90981300  0.09018700  0.50000000  1.0
  O  O13  1  0.09018700  0.50000000  0.90981300  1.0
  O  O14  1  0.62081500  0.02795000  0.77296600  1.0
  O  O15  1  0.02795000  0.77296600  0.62081500  1.0
  O  O16  1  0.77296600  0.62081500  0.02795000  1.0
  O  O17  1  0.37918500  0.22703400  0.97205000  1.0
  O  O18  1  0.97205000  0.37918500  0.22703400  1.0
  O  O19  1  0.22703400  0.97205000  0.37918500  1.0
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