KEu(CuTe2)2

High-Entropy Materials HEA

MP-ID: mp-624928 · Space group: P4mm (#99)

Materials Project API

Basic Information

Formula

KEu(CuTe2)2

MP-ID

mp-624928

Elements

Sites

Density

6.1421

g/cm³

Volume

224.00

Å³

Cell a

4.4386

Cell b

4.4386

Cell c

11.3702

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4mm

Point Group

4mm

Crystal System

Tetragonal

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
7.78	11.3702	55.7	(0,0,1)
15.59	5.6851	10.5	(0,0,2)
20.00	4.4386	5.4	(1,0,0)
23.47	3.7901	12.3	(0,0,3)
25.46	3.4986	32.9	(1,0,2)
29.53	3.0254	27.0	(1,1,1)
31.03	2.8823	31.9	(1,0,3)
31.47	2.8425	11.2	(0,0,4)
32.59	2.7477	100.0	(1,1,2)
37.19	2.4173	20.1	(1,1,3)
37.57	2.3937	2.4	(1,0,4)
39.63	2.2740	3.7	(0,0,5)
40.65	2.2193	50.4	(2,0,0)
41.46	2.1782	4.7	(2,0,1)
42.93	2.1069	16.8	(1,1,4)
43.79	2.0674	3.0	(2,0,2)
44.78	2.0239	17.7	(1,0,5)
45.71	1.9850	1.4	(2,1,0)
47.47	1.9151	7.5	(2,0,3)
48.58	1.8741	11.3	(2,1,2)
49.50	1.8415	1.8	(1,1,5)
52.01	1.7584	14.6	(2,1,3)
52.30	1.7493	10.3	(2,0,4)
52.51	1.7428	6.3	(1,0,6)

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Energy Properties

Formation Energy/atom

-0.88446

eV/atom

Energy/atom

-4.90835

eV/atom

Energy above Hull

0.0171

eV/atom

Uncorrected Energy

-4.6974

eV/atom

Volume/atom

28.00

Å³

c/a Ratio

2.5617

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.8475

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.030570

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Te · 0.500

Element Family

Metalloid-Nonmetal

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2130

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.0849

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.978%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4605

smaller = more stable mixing

VEC

5.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8750

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (5)

aaaddkko aaadndin aaadspyk aaaeucbv aaafxdsc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-624928

Reference Citation

The crystal structure and related material properties of KEu(CuTe2)2 were obtained from the Materials Project database (MP-ID: mp-624928, 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(CuTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43858400
_cell_length_b   4.43858400
_cell_length_c   11.37016900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KEu(CuTe2)2
_chemical_formula_sum   'K1 Eu1 Cu2 Te4'
_cell_volume   224.00401698
_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
  K  K0  1  0.50000000  0.50000000  0.50693800  1.0
  Eu  Eu1  1  0.00000000  0.00000000  0.99585700  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.23815500  1.0
  Cu  Cu3  1  0.50000000  0.00000000  0.23815500  1.0
  Te  Te4  1  0.00000000  0.00000000  0.36566200  1.0
  Te  Te5  1  0.00000000  0.50000000  0.76999900  1.0
  Te  Te6  1  0.50000000  0.50000000  0.09243500  1.0
  Te  Te7  1  0.50000000  0.00000000  0.76999900  1.0

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