Ba4Sr4Co3Cu5O24

High-Entropy Materials HEA

MP-ID: mp-1076491 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Ba4Sr4Co3Cu5O24

MP-ID

mp-1076491

Elements

Sites

Density

5.9500

g/cm³

Volume

496.29

Å³

Cell a

7.9044

Cell b

7.9230

Cell c

7.9246

α Angle

90.11

β Angle

90.01

γ Angle

90.04

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
11.17	7.9230	3.7	(0,1,0)
15.80	5.6083	2.1	(0,1,-1)
15.83	5.5976	2.3	(1,-1,0)
15.83	5.5976	2.0	(0,1,1)
15.84	5.5940	1.9	(1,1,0)
19.40	4.5748	1.6	(1,-1,1)
19.41	4.5732	1.5	(1,1,-1)
19.43	4.5693	1.5	(1,-1,-1)
19.44	4.5670	1.6	(1,1,1)
22.44	3.9623	5.7	(0,0,2)
22.44	3.9615	5.7	(0,2,0)
22.50	3.9522	5.6	(2,0,0)
31.91	2.8042	100.0	(0,2,-2)
31.98	2.7988	99.5	(2,-2,0)
31.98	2.7988	99.4	(0,2,2)
31.98	2.7984	99.4	(2,0,-2)
31.99	2.7980	99.3	(2,0,2)
32.00	2.7970	99.3	(2,2,0)
39.39	2.2874	18.2	(2,-2,2)
39.41	2.2866	18.2	(2,2,-2)
39.44	2.2847	18.1	(2,-2,-2)
39.46	2.2835	18.1	(2,2,2)
45.80	1.9811	69.3	(0,0,4)
45.81	1.9807	68.9	(0,4,0)

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Energy Properties

Formation Energy/atom

-1.77707

eV/atom

Energy/atom

-6.15440

eV/atom

Energy above Hull

0.0844

eV/atom

Uncorrected Energy

-5.6194

eV/atom

Volume/atom

12.41

Å³

c/a Ratio

1.0026

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

14.4116

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.029040

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

1.2212

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.1532

J/mol·K

Ω Parameter

24.3780

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

56.839%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0428

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

0.7588

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaackpjn aaaebzmf

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076491

Reference Citation

The crystal structure and related material properties of Ba4Sr4Co3Cu5O24 were obtained from the Materials Project database (MP-ID: mp-1076491, 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_Ba4Sr4Co3Cu5O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90444300
_cell_length_b   7.92298762
_cell_length_c   7.92457651
_cell_angle_alpha   90.10944571
_cell_angle_beta   90.00649989
_cell_angle_gamma   90.03664969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Sr4Co3Cu5O24
_chemical_formula_sum   'Ba4 Sr4 Co3 Cu5 O24'
_cell_volume   496.28988994
_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  0.24843300  0.24855300  0.24898200  1.0
  Ba  Ba1  1  0.75230100  0.24838000  0.24891300  1.0
  Ba  Ba2  1  0.24787600  0.75140800  0.75126300  1.0
  Ba  Ba3  1  0.75173700  0.24859800  0.75091100  1.0
  Sr  Sr4  1  0.24553000  0.75206500  0.24812000  1.0
  Sr  Sr5  1  0.75384800  0.75178900  0.24812300  1.0
  Sr  Sr6  1  0.75383800  0.75206800  0.75214700  1.0
  Sr  Sr7  1  0.24609600  0.24796500  0.75159800  1.0
  Co  Co8  1  0.49990200  0.50281700  0.99988700  1.0
  Co  Co9  1  0.49990800  0.99773600  0.50021300  1.0
  Co  Co10  1  0.50001100  0.50309600  0.49985400  1.0
  Cu  Cu11  1  0.00008400  0.99968100  0.99993200  1.0
  Cu  Cu12  1  0.49999000  0.99957300  0.99985300  1.0
  Cu  Cu13  1  0.00014600  0.50076300  0.99994400  1.0
  Cu  Cu14  1  0.00013600  0.99909400  0.50002300  1.0
  Cu  Cu15  1  0.00026500  0.50057000  0.50009200  1.0
  O  O16  1  0.00001000  0.98793500  0.25083100  1.0
  O  O17  1  0.49990200  0.99177500  0.25215700  1.0
  O  O18  1  0.00008900  0.51255900  0.25116800  1.0
  O  O19  1  0.49991200  0.50720000  0.24081300  1.0
  O  O20  1  0.99959100  0.99776800  0.74908400  1.0
  O  O21  1  0.50022000  0.99858100  0.74759600  1.0
  O  O22  1  0.99958800  0.50222500  0.74896400  1.0
  O  O23  1  0.50024300  0.50189400  0.75941800  1.0
  O  O24  1  0.99510400  0.74914500  0.00473600  1.0
  O  O25  1  0.50304100  0.74874700  0.00324600  1.0
  O  O26  1  0.00536000  0.25106000  0.99464600  1.0
  O  O27  1  0.49656900  0.25324900  0.99637000  1.0
  O  O28  1  0.99496700  0.74881800  0.49500100  1.0
  O  O29  1  0.50152400  0.75852700  0.49743300  1.0
  O  O30  1  0.00561200  0.25099200  0.50558400  1.0
  O  O31  1  0.49787900  0.23972100  0.50286000  1.0
  O  O32  1  0.25144500  0.99821800  0.00033800  1.0
  O  O33  1  0.74849400  0.98811800  0.99977800  1.0
  O  O34  1  0.25620900  0.50203400  0.00022100  1.0
  O  O35  1  0.74391500  0.50810200  0.00002300  1.0
  O  O36  1  0.25619900  0.99828700  0.49981500  1.0
  O  O37  1  0.74386500  0.99181700  0.50004800  1.0
  O  O38  1  0.26864500  0.50102000  0.49991000  1.0
  O  O39  1  0.73151400  0.50805200  0.50010500  1.0

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