Sr2EuGaCu2O7

High-Entropy Materials HEA

MP-ID: mp-662575 · Space group: Ima2 (#46)

Materials Project API

Basic Information

Formula

Sr2EuGaCu2O7

MP-ID

mp-662575

Elements

Sites

Density

5.9893

g/cm³

Volume

352.67

Å³

Cell a

5.4362

Cell b

5.5440

Cell c

12.3326

α Angle

103.06

β Angle

102.74

γ Angle

90.00

Space Group

Ima2

Point Group

mm2

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
7.55	11.7018	100.0	(0,0,1)
15.14	5.8509	4.1	(0,0,2)
19.63	4.5217	2.4	(0,1,-2)
19.66	4.5164	2.2	(0,1,1)
22.80	3.9006	2.1	(0,0,3)
22.91	3.8816	7.6	(1,1,-1)
22.91	3.8815	7.6	(1,-1,0)
24.15	3.6852	5.1	(1,1,-2)
24.15	3.6850	5.1	(1,-1,1)
24.16	3.6832	5.1	(1,-1,-1)
24.16	3.6831	5.0	(1,1,0)
24.88	3.5787	2.9	(0,1,-3)
24.91	3.5743	3.0	(0,1,2)
30.56	2.9255	1.7	(0,0,4)
31.22	2.8646	1.4	(0,1,-4)
31.26	2.8615	1.4	(0,1,3)
32.29	2.7720	70.7	(0,2,-1)
32.53	2.7527	65.1	(1,1,-4)
32.53	2.7524	65.4	(1,-1,3)
32.56	2.7503	65.6	(1,-1,-3)
32.56	2.7501	65.6	(1,1,2)
32.95	2.7181	75.1	(2,0,-1)
33.20	2.6981	1.4	(0,2,-2)
33.22	2.6966	1.2	(0,2,0)

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Energy Properties

Formation Energy/atom

-2.35158

eV/atom

Energy/atom

-6.93121

eV/atom

Energy above Hull

0.0565

eV/atom

Uncorrected Energy

-6.5613

eV/atom

Volume/atom

13.56

Å³

c/a Ratio

2.2686

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

11.9574

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.033910

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.538

Element Family

Metalloid-Nonmetal

Solute Fraction

0.462

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.3039

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.8404

J/mol·K

Ω Parameter

19.3816

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

51.983%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0329

smaller = more stable mixing

VEC

4.923

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.284

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8101

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaaeavfv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-662575

Reference Citation

The crystal structure and related material properties of Sr2EuGaCu2O7 were obtained from the Materials Project database (MP-ID: mp-662575, 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_Sr2EuGaCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43614811
_cell_length_b   5.54398713
_cell_length_c   12.33260760
_cell_angle_alpha   103.05912395
_cell_angle_beta   102.73898908
_cell_angle_gamma   89.99859005
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2EuGaCu2O7
_chemical_formula_sum   'Sr4 Eu2 Ga2 Cu4 O14'
_cell_volume   352.66894544
_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
  Sr  Sr0  1  0.15166700  0.17123900  0.30401300  1.0
  Sr  Sr1  1  0.34671000  0.36571700  0.69578800  1.0
  Sr  Sr2  1  0.65175300  0.63610500  0.30366400  1.0
  Sr  Sr3  1  0.84679100  0.83034400  0.69549400  1.0
  Eu  Eu4  1  0.50031700  0.50130500  0.99983500  1.0
  Eu  Eu5  1  0.00034600  0.00131200  0.99988000  1.0
  Ga  Ga6  1  0.71256900  0.17863500  0.49990600  1.0
  Ga  Ga7  1  0.21306000  0.82200400  0.49932500  1.0
  Cu  Cu8  1  0.07646500  0.57820600  0.14978100  1.0
  Cu  Cu9  1  0.57602500  0.07546600  0.14914500  1.0
  Cu  Cu10  1  0.42654100  0.92713500  0.85061900  1.0
  Cu  Cu11  1  0.92600500  0.42428500  0.85004600  1.0
  O  O12  1  0.85133500  0.36554100  0.64590800  1.0
  O  O13  1  0.68440500  0.68342600  0.86983000  1.0
  O  O14  1  0.81922600  0.82008000  0.13552500  1.0
  O  O15  1  0.68380200  0.18261100  0.86521100  1.0
  O  O16  1  0.31887100  0.82062500  0.13524800  1.0
  O  O17  1  0.20719600  0.63581200  0.35364900  1.0
  O  O18  1  0.86085600  0.86486600  0.49986400  1.0
  O  O19  1  0.18303100  0.18176000  0.86354000  1.0
  O  O20  1  0.70646600  0.22006200  0.35456100  1.0
  O  O21  1  0.31526800  0.31561100  0.12939400  1.0
  O  O22  1  0.18439800  0.68675500  0.86944800  1.0
  O  O23  1  0.35998700  0.13633100  0.49974900  1.0
  O  O24  1  0.35311100  0.78003300  0.64473400  1.0
  O  O25  1  0.81540600  0.31930600  0.13069500  1.0

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