Eu(CuO2)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-9418 · Space group: I4_1/a (#88)

Materials Project API

Basic Information

Formula

Eu(CuO2)2

MP-ID

mp-9418

Elements

Sites

Density

7.1320

g/cm³

Volume

159.75

Å³

Cell a

6.3044

Cell b

6.3042

Cell c

6.3043

α Angle

125.61

β Angle

125.61

γ Angle

80.53

Space Group

I4_1/a

Point Group

4/m

Crystal System

Tetragonal

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
17.94	4.9438	12.5	(1,0,0)
17.94	4.9437	12.5	(1,0,-1)
17.94	4.9437	12.5	(0,1,0)
17.94	4.9436	12.5	(0,1,-1)
28.71	3.1093	82.7	(1,1,0)
28.71	3.1093	82.7	(2,0,-1)
28.71	3.1093	82.7	(1,1,-2)
28.71	3.1092	82.7	(0,2,-1)
31.04	2.8813	39.7	(1,-1,1)
31.04	2.8813	39.7	(1,-1,-1)
31.94	2.8023	71.4	(2,1,-1)
31.94	2.8023	71.4	(2,1,-2)
31.94	2.8023	71.4	(1,2,-1)
31.94	2.8022	71.4	(1,2,-2)
36.08	2.4895	100.0	(1,0,1)
36.08	2.4894	49.4	(0,1,1)
36.08	2.4894	49.4	(1,0,-2)
36.08	2.4894	100.0	(0,1,-2)
36.08	2.4894	49.4	(2,-1,0)
36.08	2.4893	100.0	(2,-1,-1)
36.08	2.4893	100.0	(1,-2,0)
36.08	2.4893	49.4	(1,-2,1)
36.34	2.4719	32.8	(2,0,0)
36.35	2.4718	32.7	(2,0,-2)

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Energy Properties

Formation Energy/atom

-1.80641

eV/atom

Energy/atom

-7.27475

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-13.6593

eV/atom

Volume/atom

11.41

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.087640

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

47.806%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9038

smaller = more stable mixing

VEC

6.429

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

0.536

Family

O-rich Multi-Component

Matrix Element

O · 0.571

Related Tasks

Related computation task IDs (5)

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Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9418

Reference Citation

The crystal structure and related material properties of Eu(CuO2)2 were obtained from the Materials Project database (MP-ID: mp-9418, 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_Eu(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30439981
_cell_length_b   6.30416847
_cell_length_c   6.30431587
_cell_angle_alpha   125.60704401
_cell_angle_beta   125.60769293
_cell_angle_gamma   80.53232193
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Eu(CuO2)2
_chemical_formula_sum   'Eu2 Cu4 O8'
_cell_volume   159.74689950
_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  0.00008918  0.00009101  0.00000178  1.0
  Eu  Eu1  1  0.75011253  0.25010843  0.50000426  1.0
  Cu  Cu2  1  0.37475588  0.62496536  0.24962765  1.0
  Cu  Cu3  1  0.37533423  0.12512120  0.75036247  1.0
  Cu  Cu4  1  0.37499096  0.62535872  0.75023020  1.0
  Cu  Cu5  1  0.87513278  0.62476159  0.24977883  1.0
  O  O6  1  0.73011931  0.30684716  0.13441186  1.0
  O  O7  1  0.17242643  0.59570502  0.86556374  1.0
  O  O8  1  0.02061777  0.94296341  0.36636189  1.0
  O  O9  1  0.57660706  0.65426657  0.63366201  1.0
  O  O10  1  0.05683932  0.42241457  0.07668456  1.0
  O  O11  1  0.34572492  0.98014384  0.92329905  1.0
  O  O12  1  0.40426040  0.27065473  0.57766674  1.0
  O  O13  1  0.69298924  0.82659841  0.42234497  1.0

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