Eu2YO4

高熵材料 HEA 传统材料 TRA

MP-ID: mp-3295390 · Space group: Pbam (#55)

Materials Project API

Basic Information

Formula

Eu2YO4

MP-ID

mp-3295390

Elements

Sites

Density

7.2151

g/cm³

Volume

210.28

Å³

Cell a

3.4889

Cell b

5.9155

Cell c

10.1886

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pbam

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

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
17.33	5.1158	2.1	(0,1,1)
17.41	5.0943	10.7	(0,0,2)
23.04	3.8602	12.9	(0,1,2)
25.53	3.4889	27.5	(1,0,0)
30.22	2.9578	28.1	(0,2,0)
30.35	2.9453	100.0	(0,1,3)
31.03	2.8824	74.2	(1,1,1)
31.07	2.8785	33.2	(1,0,2)
31.50	2.8405	17.7	(0,2,1)
34.66	2.5884	4.3	(1,1,2)
35.08	2.5579	2.0	(0,2,2)
38.48	2.3395	10.4	(0,1,4)
39.96	2.2561	4.5	(1,2,0)
40.06	2.2506	31.1	(1,1,3)
40.97	2.2028	33.1	(1,2,1)
43.89	2.0629	37.6	(1,2,2)
44.02	2.0572	8.8	(1,0,4)
46.75	1.9431	5.8	(1,1,4)
47.17	1.9266	2.1	(0,1,5)
48.44	1.8792	1.1	(1,2,3)
49.57	1.8389	11.7	(0,3,2)
52.45	1.7444	17.2	(2,0,0)
53.76	1.7053	8.4	(0,3,3)
54.00	1.6981	11.6	(0,0,6)

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Energy Properties

Formation Energy/atom

-3.45545

eV/atom

Energy/atom

-20.77624

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-20.7762

eV/atom

Volume/atom

15.02

Å³

c/a Ratio

2.9203

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

26.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.123650

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.571

Element Family

Metalloid-Nonmetal

Solute Fraction

0.429

Interstitial Fraction

0.000

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

54.098%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.1052

smaller = more stable mixing

VEC

4.714

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

Related Tasks

Related computation task IDs (1)

aaahfmvu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295390

Reference Citation

The crystal structure and related material properties of Eu2YO4 were obtained from the Materials Project database (MP-ID: mp-3295390, 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_Eu2YO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48886953
_cell_length_b   5.91549232
_cell_length_c   10.18862508
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu2YO4
_chemical_formula_sum   'Eu4 Y2 O8'
_cell_volume   210.27672526
_cell_formula_units_Z   2
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  0.50000000  0.06072708  0.32462254  1.0
  Eu  Eu1  1  0.50000000  0.43927292  0.82462254  1.0
  Eu  Eu2  1  0.50000000  0.56072708  0.17537746  1.0
  Eu  Eu3  1  0.50000000  0.93927292  0.67537746  1.0
  Y  Y4  1  0.00000000  0.00000000  0.00000000  1.0
  Y  Y5  1  0.00000000  0.50000000  0.50000000  1.0
  O  O6  1  0.00000000  0.15129925  0.79511318  1.0
  O  O7  1  0.50000000  0.24414302  0.03684066  1.0
  O  O8  1  0.50000000  0.25585698  0.53684066  1.0
  O  O9  1  0.00000000  0.34870075  0.29511318  1.0
  O  O10  1  0.00000000  0.65129925  0.70488682  1.0
  O  O11  1  0.50000000  0.74414302  0.46315934  1.0
  O  O12  1  0.50000000  0.75585698  0.96315934  1.0
  O  O13  1  0.00000000  0.84870075  0.20488682  1.0

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