Ba6Sr2CoCu7O24

High-Entropy Materials HEA

MP-ID: mp-1076247 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Ba6Sr2CoCu7O24

MP-ID

mp-1076247

Elements

Sites

Density

6.1629

g/cm³

Volume

508.42

Å³

Cell a

7.9872

Cell b

7.9872

Cell c

7.9696

α Angle

90.00

β Angle

90.00

γ Angle

90.13

Space Group

Amm2

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
11.08	7.9871	1.6	(1,0,0)
22.26	3.9936	4.7	(2,0,0)
22.31	3.9848	2.3	(0,0,2)
31.65	2.8271	25.2	(2,-2,0)
31.72	2.8208	100.0	(2,0,2)
31.72	2.8207	25.0	(2,2,0)
39.07	2.3057	9.5	(2,-2,2)
39.13	2.3023	9.5	(2,2,2)
45.42	1.9968	33.5	(4,0,0)
45.53	1.9924	16.7	(0,0,4)
51.17	1.7852	1.3	(4,0,2)
51.24	1.7828	1.3	(2,0,4)
56.42	1.6310	19.4	(4,-2,2)
56.51	1.6286	9.6	(2,-2,4)
56.51	1.6286	19.3	(4,2,2)
56.55	1.6274	9.6	(2,2,4)
66.10	1.4135	4.9	(4,-4,0)
66.27	1.4104	19.7	(4,0,4)
66.27	1.4104	4.9	(4,4,0)
75.18	1.2637	4.1	(6,-2,0)
75.26	1.2626	8.2	(6,0,2)
75.30	1.2620	4.1	(6,2,0)
75.42	1.2604	8.2	(2,0,6)
79.58	1.2046	2.0	(6,-2,2)

Get direct link

Energy Properties

Formation Energy/atom

-1.70537

eV/atom

Energy/atom

-5.94231

eV/atom

Energy above Hull

0.0834

eV/atom

Uncorrected Energy

-5.4892

eV/atom

Volume/atom

12.71

Å³

c/a Ratio

0.9978

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

10.3525

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.020360

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

1.1381

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.4621

J/mol·K

Ω Parameter

46.6103

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

57.675%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0470

smaller = more stable mixing

VEC

4.950

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.105

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7071

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaaefntq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076247

Reference Citation

The crystal structure and related material properties of Ba6Sr2CoCu7O24 were obtained from the Materials Project database (MP-ID: mp-1076247, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Ba6Sr2CoCu7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98715232
_cell_length_b   7.98715232
_cell_length_c   7.96963300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.12877876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba6Sr2CoCu7O24
_chemical_formula_sum   'Ba6 Sr2 Co1 Cu7 O24'
_cell_volume   508.41828231
_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  0.75186600  0.24772300  0.24984500  1.0
  Ba  Ba1  1  0.24802100  0.24802100  0.24969800  1.0
  Ba  Ba2  1  0.24772300  0.75186600  0.24984500  1.0
  Ba  Ba3  1  0.75186600  0.24772300  0.75015500  1.0
  Ba  Ba4  1  0.24802100  0.24802100  0.75030200  1.0
  Ba  Ba5  1  0.24772300  0.75186600  0.75015500  1.0
  Sr  Sr6  1  0.75311200  0.75311200  0.25142000  1.0
  Sr  Sr7  1  0.75311200  0.75311200  0.74858000  1.0
  Co  Co8  1  0.50356700  0.50356700  0.00000000  1.0
  Cu  Cu9  1  0.99978000  0.99978000  0.00000000  1.0
  Cu  Cu10  1  0.00036400  0.50064500  0.00000000  1.0
  Cu  Cu11  1  0.50064500  0.00036400  0.00000000  1.0
  Cu  Cu12  1  0.99957000  0.99957000  0.50000000  1.0
  Cu  Cu13  1  0.99990500  0.50002500  0.50000000  1.0
  Cu  Cu14  1  0.50002500  0.99990500  0.50000000  1.0
  Cu  Cu15  1  0.50051600  0.50051600  0.50000000  1.0
  O  O16  1  0.99240900  0.99240900  0.25075400  1.0
  O  O17  1  0.99258600  0.50758700  0.24892700  1.0
  O  O18  1  0.50758700  0.99258600  0.24892700  1.0
  O  O19  1  0.50536300  0.50536300  0.24335600  1.0
  O  O20  1  0.99240900  0.99240900  0.74924600  1.0
  O  O21  1  0.99258600  0.50758700  0.75107300  1.0
  O  O22  1  0.50758700  0.99258600  0.75107300  1.0
  O  O23  1  0.50536300  0.50536300  0.75664400  1.0
  O  O24  1  0.74833600  0.98744000  0.00000000  1.0
  O  O25  1  0.74337700  0.50830500  0.00000000  1.0
  O  O26  1  0.25172500  0.99852600  0.00000000  1.0
  O  O27  1  0.25861100  0.50187900  0.00000000  1.0
  O  O28  1  0.75014500  0.98767100  0.50000000  1.0
  O  O29  1  0.74793700  0.51241900  0.50000000  1.0
  O  O30  1  0.24975300  0.99806300  0.50000000  1.0
  O  O31  1  0.25216400  0.50194400  0.50000000  1.0
  O  O32  1  0.99852600  0.25172500  0.00000000  1.0
  O  O33  1  0.98744000  0.74833600  0.00000000  1.0
  O  O34  1  0.50187900  0.25861100  0.00000000  1.0
  O  O35  1  0.50830500  0.74337700  0.00000000  1.0
  O  O36  1  0.99806300  0.24975300  0.50000000  1.0
  O  O37  1  0.98767100  0.75014500  0.50000000  1.0
  O  O38  1  0.50194400  0.25216400  0.50000000  1.0
  O  O39  1  0.51241900  0.74793700  0.50000000  1.0

Get direct link