KEu(WO4)2

High-Entropy Materials HEA

MP-ID: mp-640227 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula

KEu(WO4)2

MP-ID

mp-640227

Elements

Sites

Density

6.6484

g/cm³

Volume

343.04

Å³

Cell a

7.7523

Cell b

7.7523

Cell c

7.4846

α Angle

62.52

β Angle

62.52

γ Angle

88.97

Space Group

C2/c

Point Group

2/m

Crystal System

Monoclinic

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
13.29	6.6639	25.2	(1,0,0)
14.38	6.1603	30.0	(1,0,1)
16.32	5.4321	34.3	(1,-1,0)
21.06	4.2188	5.0	(1,1,0)
23.03	3.8617	2.0	(2,0,1)
23.79	3.7394	11.5	(1,1,2)
25.20	3.5344	7.7	(1,0,-1)
25.98	3.4295	4.9	(2,1,1)
26.76	3.3319	96.1	(2,0,0)
26.79	3.3278	21.5	(2,-1,0)
26.98	3.3051	1.6	(1,0,2)
27.36	3.2594	5.4	(2,-1,1)
27.71	3.2188	22.1	(2,1,2)
28.99	3.0802	100.0	(2,0,2)
31.34	2.8545	36.4	(0,0,2)
32.62	2.7454	18.7	(2,2,2)
32.90	2.7228	26.7	(2,1,0)
32.98	2.7160	24.2	(2,-2,0)
35.08	2.5582	4.0	(3,0,1)
35.53	2.5269	3.7	(1,-1,2)
38.39	2.3446	1.1	(3,1,1)
39.46	2.2837	3.1	(3,-1,0)
40.22	2.2420	2.5	(1,0,-2)
40.62	2.2213	10.1	(3,0,0)

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Energy Properties

Formation Energy/atom

-2.48129

eV/atom

Energy/atom

-8.89125

eV/atom

Energy above Hull

0.0191

eV/atom

Uncorrected Energy

-7.6936

eV/atom

Volume/atom

14.29

Å³

c/a Ratio

0.9655

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

11.9999

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.034980

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.667

Element Family

Metalloid-Nonmetal

Solute Fraction

0.333

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9831

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.1734

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

57.567%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9178

smaller = more stable mixing

VEC

4.333

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7091

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (4)

aaadossk aaadsbuz aaaeavzw aaaetszk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-640227

Reference Citation

The crystal structure and related material properties of KEu(WO4)2 were obtained from the Materials Project database (MP-ID: mp-640227, 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_KEu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75231541
_cell_length_b   7.75231541
_cell_length_c   7.48463104
_cell_angle_alpha   62.52403089
_cell_angle_beta   62.52403089
_cell_angle_gamma   88.96685235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KEu(WO4)2
_chemical_formula_sum   'K2 Eu2 W4 O16'
_cell_volume   343.04487296
_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
  K  K0  1  0.70647200  0.29352800  0.25000000  1.0
  K  K1  1  0.29352800  0.70647200  0.75000000  1.0
  Eu  Eu2  1  0.72589200  0.27410800  0.75000000  1.0
  Eu  Eu3  1  0.27410800  0.72589200  0.25000000  1.0
  W  W4  1  0.81012400  0.80003900  0.21511800  1.0
  W  W5  1  0.18987600  0.19996100  0.78488200  1.0
  W  W6  1  0.19996100  0.18987600  0.28488200  1.0
  W  W7  1  0.80003900  0.81012400  0.71511800  1.0
  O  O8  1  0.54576600  0.72042700  0.31668100  1.0
  O  O9  1  0.75131600  0.87531900  0.44245800  1.0
  O  O10  1  0.87531900  0.75131600  0.94245800  1.0
  O  O11  1  0.87203300  0.08842900  0.97205200  1.0
  O  O12  1  0.72042700  0.54576600  0.81668100  1.0
  O  O13  1  0.27957300  0.45423400  0.18331900  1.0
  O  O14  1  0.87327200  0.56531800  0.36781100  1.0
  O  O15  1  0.12468100  0.24868400  0.05754200  1.0
  O  O16  1  0.45423400  0.27957300  0.68331900  1.0
  O  O17  1  0.56531800  0.87327200  0.86781100  1.0
  O  O18  1  0.24868400  0.12468100  0.55754200  1.0
  O  O19  1  0.91157100  0.12796700  0.52794800  1.0
  O  O20  1  0.08842900  0.87203300  0.47205200  1.0
  O  O21  1  0.12796700  0.91157100  0.02794800  1.0
  O  O22  1  0.43468200  0.12672800  0.13218900  1.0
  O  O23  1  0.12672800  0.43468200  0.63218900  1.0

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