Ba3Sr5Co3Cu5O24

High-Entropy Materials HEA

MP-ID: mp-1076600 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Ba3Sr5Co3Cu5O24

MP-ID

mp-1076600

Elements

Sites

Density

5.8646

g/cm³

Volume

489.45

Å³

Cell a

7.8534

Cell b

7.8901

Cell c

7.8989

α Angle

89.91

β Angle

89.86

γ Angle

89.98

Space Group

Point Group

Crystal System

Triclinic

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
11.20	7.8989	8.6	(0,0,1)
11.21	7.8901	1.0	(0,1,0)
11.27	7.8534	1.3	(1,0,0)
22.51	3.9494	3.8	(0,0,2)
22.54	3.9451	3.7	(0,2,0)
22.64	3.9267	3.7	(2,0,0)
25.22	3.5315	2.2	(0,2,1)
25.25	3.5272	2.2	(0,2,-1)
25.30	3.5197	2.2	(2,0,1)
25.36	3.5127	2.2	(2,0,-1)
32.04	2.7933	100.0	(0,2,2)
32.09	2.7890	99.5	(0,2,-2)
32.10	2.7881	99.5	(2,0,2)
32.16	2.7836	99.1	(2,2,0)
32.17	2.7825	99.0	(2,-2,0)
32.19	2.7811	98.8	(2,0,-2)
34.05	2.6330	2.1	(0,0,3)
34.12	2.6277	1.1	(2,2,1)
34.16	2.6250	1.1	(2,-2,1)
34.17	2.6239	1.1	(2,-2,-1)
34.18	2.6230	1.1	(2,2,-1)
39.56	2.2783	17.2	(2,2,2)
39.61	2.2754	17.2	(2,-2,2)
39.63	2.2740	17.1	(2,-2,-2)

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Energy Properties

Formation Energy/atom

-1.78796

eV/atom

Energy/atom

-6.15962

eV/atom

Energy above Hull

0.0729

eV/atom

Uncorrected Energy

-5.6246

eV/atom

Volume/atom

12.24

Å³

c/a Ratio

1.0058

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.3725

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.029360

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.600

Element Family

Metalloid-Nonmetal

Solute Fraction

0.400

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.2149

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.1006

J/mol·K

Ω Parameter

24.3080

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

56.387%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0403

smaller = more stable mixing

VEC

4.850

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.225

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7549

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaacjgrj aaaeckxi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076600

Reference Citation

The crystal structure and related material properties of Ba3Sr5Co3Cu5O24 were obtained from the Materials Project database (MP-ID: mp-1076600, 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_Ba3Sr5Co3Cu5O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85341700
_cell_length_b   7.89010258
_cell_length_c   7.89891900
_cell_angle_alpha   89.91097246
_cell_angle_beta   89.85737912
_cell_angle_gamma   89.97807684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Sr5Co3Cu5O24
_chemical_formula_sum   'Ba3 Sr5 Co3 Cu5 O24'
_cell_volume   489.44857316
_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
  Ba  Ba0  1  0.24847700  0.24885800  0.75123400  1.0
  Ba  Ba1  1  0.75190100  0.24896700  0.75142700  1.0
  Ba  Ba2  1  0.75182300  0.75076600  0.75162600  1.0
  Sr  Sr3  1  0.24686300  0.24843800  0.24809200  1.0
  Sr  Sr4  1  0.75269300  0.24845400  0.24828400  1.0
  Sr  Sr5  1  0.24703300  0.75168100  0.24827000  1.0
  Sr  Sr6  1  0.75328700  0.75161900  0.24838200  1.0
  Sr  Sr7  1  0.24760500  0.75131900  0.75203600  1.0
  Co  Co8  1  0.49881100  0.99992900  0.49572800  1.0
  Co  Co9  1  0.49893800  0.50223600  0.00164200  1.0
  Co  Co10  1  0.49886500  0.50125500  0.49636100  1.0
  Cu  Cu11  1  0.00037700  0.99963700  0.00096900  1.0
  Cu  Cu12  1  0.49937900  0.00009100  0.00015400  1.0
  Cu  Cu13  1  0.00002300  0.99940200  0.49877600  1.0
  Cu  Cu14  1  0.00012700  0.50037500  0.00154300  1.0
  Cu  Cu15  1  0.00035700  0.50048700  0.49886500  1.0
  O  O16  1  0.00099400  0.25004400  0.01356700  1.0
  O  O17  1  0.49879900  0.25875600  0.00912900  1.0
  O  O18  1  0.00060700  0.25078300  0.48606600  1.0
  O  O19  1  0.49881100  0.24796700  0.48936100  1.0
  O  O20  1  0.00592800  0.74991100  0.00852700  1.0
  O  O21  1  0.49563100  0.74222500  0.00721500  1.0
  O  O22  1  0.00617500  0.74897700  0.49133300  1.0
  O  O23  1  0.49662300  0.75228300  0.49336000  1.0
  O  O24  1  0.00103200  0.99866000  0.25065300  1.0
  O  O25  1  0.49752100  0.99840700  0.25040700  1.0
  O  O26  1  0.00654300  0.99333600  0.74910000  1.0
  O  O27  1  0.49559900  0.99429400  0.74696700  1.0
  O  O28  1  0.00114400  0.50119400  0.25177800  1.0
  O  O29  1  0.49848500  0.50151800  0.24676700  1.0
  O  O30  1  0.00672000  0.50671200  0.74901100  1.0
  O  O31  1  0.49572600  0.50442300  0.75416900  1.0
  O  O32  1  0.25125500  0.99373600  0.00824400  1.0
  O  O33  1  0.74845500  0.99906400  0.01380100  1.0
  O  O34  1  0.25709300  0.99575400  0.49207400  1.0
  O  O35  1  0.74178000  0.99860900  0.49074200  1.0
  O  O36  1  0.25072400  0.50437300  0.00715500  1.0
  O  O37  1  0.74873500  0.50030600  0.01254200  1.0
  O  O38  1  0.26270000  0.50461500  0.49453700  1.0
  O  O39  1  0.73635900  0.50053900  0.49010900  1.0

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