EuAl3(BO3)4

高熵材料 HEA

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

Materials Project API

Basic Information

Formula

EuAl3(BO3)4

MP-ID

mp-1019731

Elements

Sites

Density

4.1332

g/cm³

Volume

188.08

Å³

Cell a

5.9526

Cell b

5.9526

Cell c

5.9526

α Angle

104.03

β Angle

104.03

γ Angle

104.03

Space Group

R32

Point Group

Crystal System

Trigonal

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
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

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.0002

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.031900

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.200

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

Phase Tendency

Related Tasks

Related computation task IDs (5)

aaadnnnq aaadqzfb aaadxoau aaaetpzt aaafyiml

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

3D Crystal Structure Rendering

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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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