BaSr7Co5(CuO8)3

High-Entropy Materials HEA

MP-ID: mp-1075982 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

BaSr7Co5(CuO8)3

MP-ID

mp-1075982

Elements

Sites

Density

5.6683

g/cm³

Volume

474.57

Å³

Cell a

7.8476

Cell b

7.8476

Cell c

7.7059

α Angle

89.96

β Angle

89.96

γ Angle

90.01

Space Group

Point Group

Crystal System

Monoclinic

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
11.28	7.8476	1.2	(1,0,0)
22.66	3.9238	1.2	(2,0,0)
32.26	2.7748	51.1	(2,-2,0)
32.27	2.7744	51.1	(2,2,0)
32.56	2.7501	100.0	(2,0,2)
32.58	2.7482	99.8	(2,0,-2)
40.03	2.2524	8.2	(2,2,2)
40.04	2.2516	16.5	(2,-2,2)
40.07	2.2504	8.2	(2,2,-2)
46.28	1.9619	75.5	(4,0,0)
47.18	1.9265	35.3	(0,0,4)
57.71	1.5974	19.2	(4,2,2)
57.72	1.5972	19.2	(4,-2,2)
57.73	1.5969	19.2	(4,-2,-2)
57.75	1.5963	19.2	(4,2,-2)
58.28	1.5831	9.3	(2,2,4)
58.31	1.5825	18.5	(2,-2,4)
58.34	1.5817	9.3	(2,2,-4)
67.51	1.3874	10.9	(4,-4,0)
67.52	1.3872	10.8	(4,4,0)
68.20	1.3750	20.9	(4,0,4)
68.25	1.3741	20.9	(4,0,-4)
76.82	1.2409	8.3	(6,-2,0)
76.83	1.2408	8.3	(6,2,0)

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Energy Properties

Formation Energy/atom

-1.86181

eV/atom

Energy/atom

-6.37385

eV/atom

Energy above Hull

0.0576

eV/atom

Uncorrected Energy

-5.7569

eV/atom

Volume/atom

11.86

Å³

c/a Ratio

0.9819

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

9.2015

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.019390

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

1.1579

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.6271

J/mol·K

Ω Parameter

24.1524

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

55.460%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0361

smaller = more stable mixing

VEC

4.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.225

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7195

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaacjfuu aaadzpal

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1075982

Reference Citation

The crystal structure and related material properties of BaSr7Co5(CuO8)3 were obtained from the Materials Project database (MP-ID: mp-1075982, 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_BaSr7Co5(CuO8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84763583
_cell_length_b   7.84763583
_cell_length_c   7.70585749
_cell_angle_alpha   89.96142264
_cell_angle_beta   89.96142264
_cell_angle_gamma   90.00841504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr7Co5(CuO8)3
_chemical_formula_sum   'Ba1 Sr7 Co5 Cu3 O24'
_cell_volume   474.56800483
_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  0.24899600  0.24899600  0.75109800  1.0
  Sr  Sr1  1  0.24833200  0.75137100  0.75061500  1.0
  Sr  Sr2  1  0.75161500  0.75161500  0.75063400  1.0
  Sr  Sr3  1  0.75137100  0.24833200  0.75061500  1.0
  Sr  Sr4  1  0.24854600  0.75146300  0.24949200  1.0
  Sr  Sr5  1  0.75195900  0.75195900  0.24895900  1.0
  Sr  Sr6  1  0.24822400  0.24822400  0.24964100  1.0
  Sr  Sr7  1  0.75146300  0.24854600  0.24949200  1.0
  Co  Co8  1  0.50229100  0.50229100  0.00092500  1.0
  Co  Co9  1  0.99879800  0.99879800  0.49861500  1.0
  Co  Co10  1  0.50097800  0.99871600  0.49870800  1.0
  Co  Co11  1  0.99871600  0.50097800  0.49870800  1.0
  Co  Co12  1  0.50101100  0.50101100  0.49869200  1.0
  Cu  Cu13  1  0.99955100  0.99955100  0.00008900  1.0
  Cu  Cu14  1  0.50060500  0.00007200  0.00050600  1.0
  Cu  Cu15  1  0.00007200  0.50060500  0.00050600  1.0
  O  O16  1  0.99560900  0.99560900  0.73985000  1.0
  O  O17  1  0.50432900  0.99584900  0.73858200  1.0
  O  O18  1  0.99584900  0.50432900  0.73858200  1.0
  O  O19  1  0.50350800  0.50350800  0.76153000  1.0
  O  O20  1  0.99917400  0.99917400  0.25897300  1.0
  O  O21  1  0.50097100  0.99942200  0.26034600  1.0
  O  O22  1  0.99942200  0.50097100  0.26034600  1.0
  O  O23  1  0.50146200  0.50146200  0.23925300  1.0
  O  O24  1  0.99837300  0.74970200  0.00104400  1.0
  O  O25  1  0.50180700  0.75059900  0.00102200  1.0
  O  O26  1  0.99250600  0.25039100  0.00677600  1.0
  O  O27  1  0.50482400  0.25031100  0.00495900  1.0
  O  O28  1  0.99819800  0.75037300  0.49831600  1.0
  O  O29  1  0.50052500  0.74078100  0.49885300  1.0
  O  O30  1  0.99434900  0.24944500  0.49609800  1.0
  O  O31  1  0.50505200  0.25991200  0.49555300  1.0
  O  O32  1  0.25039100  0.99250600  0.00677600  1.0
  O  O33  1  0.74970200  0.99837300  0.00104400  1.0
  O  O34  1  0.25031100  0.50482400  0.00495900  1.0
  O  O35  1  0.75059900  0.50180700  0.00102200  1.0
  O  O36  1  0.24944500  0.99434900  0.49609800  1.0
  O  O37  1  0.75037300  0.99819800  0.49831600  1.0
  O  O38  1  0.25991200  0.50505200  0.49555300  1.0
  O  O39  1  0.74078100  0.50052500  0.49885300  1.0

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