BaEu2O4

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1019738 · Space group: Pnma (#62)

Materials Project API

Basic Information

Formula

BaEu2O4

MP-ID

mp-1019738

Elements

Sites

Density

7.2603

g/cm³

Volume

462.23

Å³

Cell a

3.5581

Cell b

10.5205

Cell c

12.3484

α Angle

90.09

β Angle

90.00

γ Angle

90.00

Space Group

Pnma

Point Group

mmm

Crystal System

Orthorhombic

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
16.85	5.2603	7.0	(0,2,0)
22.18	4.0073	5.8	(0,2,-2)
22.22	4.0009	6.0	(0,2,2)
26.06	3.4190	16.8	(1,0,1)
27.43	3.2520	7.2	(1,1,-1)
27.43	3.2511	7.2	(1,1,1)
28.92	3.0871	93.4	(0,0,4)
29.27	3.0515	100.0	(0,3,-2)
29.31	3.0472	99.1	(0,3,2)
30.16	2.9635	5.0	(0,1,-4)
30.18	2.9609	5.1	(0,1,4)
30.20	2.9591	67.7	(1,1,-2)
30.22	2.9578	67.8	(1,1,2)
30.33	2.9472	64.7	(1,2,0)
31.19	2.8673	6.3	(1,2,-1)
31.21	2.8661	6.4	(1,2,1)
33.69	2.6607	1.5	(1,2,-2)
33.71	2.6588	1.5	(1,2,2)
34.38	2.6085	18.2	(1,1,-3)
34.40	2.6071	18.0	(1,1,3)
36.70	2.4486	8.2	(1,3,-1)
36.72	2.4475	8.1	(1,3,1)
37.13	2.4212	2.8	(0,4,-2)
37.18	2.4183	2.9	(0,4,2)

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Energy Properties

Formation Energy/atom

-3.08220

eV/atom

Energy/atom

-9.12321

eV/atom

Energy above Hull

0.1854

eV/atom

Uncorrected Energy

-21.0686

eV/atom

Volume/atom

16.51

Å³

c/a Ratio

3.4705

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.9799

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.012940

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9557

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9457

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

57.227%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.1636

smaller = more stable mixing

VEC

4.571

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8699

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.359

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (3)

aaacgbxm aaadwbnn aaagblif

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1019738

Reference Citation

The crystal structure and related material properties of BaEu2O4 were obtained from the Materials Project database (MP-ID: mp-1019738, 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_BaEu2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55807181
_cell_length_b   10.52052298
_cell_length_c   12.34841615
_cell_angle_alpha   90.09366490
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaEu2O4
_chemical_formula_sum   'Ba4 Eu8 O16'
_cell_volume   462.23488101
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.25000000  0.74698329  0.85133738  1.0
  Ba  Ba1  1  0.25000000  0.24805645  0.64867243  1.0
  Ba  Ba2  1  0.75000000  0.25207365  0.14837090  1.0
  Ba  Ba3  1  0.75000000  0.75225510  0.35124831  1.0
  Eu  Eu4  1  0.25000000  0.57714162  0.10928223  1.0
  Eu  Eu5  1  0.25000000  0.07883278  0.39027513  1.0
  Eu  Eu6  1  0.75000000  0.42117891  0.88999119  1.0
  Eu  Eu7  1  0.75000000  0.92189849  0.60994383  1.0
  Eu  Eu8  1  0.25000000  0.07562491  0.88787219  1.0
  Eu  Eu9  1  0.25000000  0.57570369  0.61294751  1.0
  Eu  Eu10  1  0.75000000  0.92397836  0.11261039  1.0
  Eu  Eu11  1  0.75000000  0.42457911  0.38741203  1.0
  O  O12  1  0.25000000  0.79108379  0.16962099  1.0
  O  O13  1  0.25000000  0.29256042  0.32968684  1.0
  O  O14  1  0.75000000  0.21004738  0.83100930  1.0
  O  O15  1  0.75000000  0.70826550  0.67060511  1.0
  O  O16  1  0.25000000  0.88047248  0.48529360  1.0
  O  O17  1  0.25000000  0.37859033  0.01372425  1.0
  O  O18  1  0.75000000  0.12052993  0.51500359  1.0
  O  O19  1  0.75000000  0.61723408  0.98330198  1.0
  O  O20  1  0.25000000  0.98242170  0.71567097  1.0
  O  O21  1  0.25000000  0.48203407  0.78592064  1.0
  O  O22  1  0.75000000  0.01945521  0.28422388  1.0
  O  O23  1  0.75000000  0.51911526  0.21547497  1.0
  O  O24  1  0.25000000  0.57034931  0.42540801  1.0
  O  O25  1  0.25000000  0.06922253  0.07500558  1.0
  O  O26  1  0.75000000  0.43014755  0.57495673  1.0
  O  O27  1  0.75000000  0.93016213  0.92513204  1.0

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