Sr5Ca3Fe7CoO24

High-Entropy Materials HEA

MP-ID: mp-1075955 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Sr5Ca3Fe7CoO24

MP-ID

mp-1075955

Elements

Sites

Density

4.9549

g/cm³

Volume

466.56

Å³

Cell a

7.7541

Cell b

7.7541

Cell c

7.7598

α Angle

89.97

β Angle

89.97

γ Angle

90.06

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
11.40	7.7598	9.3	(0,0,1)
11.41	7.7541	2.2	(1,0,0)
16.16	5.4836	1.6	(1,0,-1)
25.68	3.4690	4.5	(2,0,1)
25.69	3.4675	4.5	(2,0,-1)
32.64	2.7432	100.0	(2,0,2)
32.65	2.7428	50.0	(2,-2,0)
32.66	2.7418	99.8	(2,0,-2)
32.68	2.7402	49.9	(2,2,0)
34.68	2.5866	1.7	(0,0,3)
34.69	2.5860	2.0	(2,-2,1)
34.71	2.5844	1.0	(2,2,1)
34.73	2.5832	1.0	(2,2,-1)
40.27	2.2397	15.2	(2,-2,2)
40.28	2.2390	7.6	(2,2,2)
40.31	2.2375	7.6	(2,2,-2)
46.83	1.9400	41.8	(0,0,4)
46.87	1.9385	83.6	(4,0,0)
58.25	1.5839	9.2	(2,2,4)
58.25	1.5838	18.5	(2,-2,4)
58.26	1.5836	18.4	(4,-2,2)
58.27	1.5834	18.4	(4,-2,-2)
58.29	1.5829	18.4	(4,2,2)
58.30	1.5828	9.2	(2,2,-4)

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Energy Properties

Formation Energy/atom

-2.17095

eV/atom

Energy/atom

-7.16229

eV/atom

Energy above Hull

0.0310

eV/atom

Uncorrected Energy

-6.3143

eV/atom

Volume/atom

11.66

Å³

c/a Ratio

1.0007

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

32.4583

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.069570

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

6.1747

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

54.695%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0353

smaller = more stable mixing

VEC

4.425

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.949

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7195

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaacjfup aaaczhcq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1075955

Reference Citation

The crystal structure and related material properties of Sr5Ca3Fe7CoO24 were obtained from the Materials Project database (MP-ID: mp-1075955, 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_Sr5Ca3Fe7CoO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75407023
_cell_length_b   7.75407023
_cell_length_c   7.75979403
_cell_angle_alpha   89.97067715
_cell_angle_beta   89.97067715
_cell_angle_gamma   90.05544663
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Ca3Fe7CoO24
_chemical_formula_sum   'Sr5 Ca3 Fe7 Co1 O24'
_cell_volume   466.56197130
_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
  Sr  Sr0  1  0.25105400  0.74908100  0.74938600  1.0
  Sr  Sr1  1  0.74893100  0.74893100  0.74951200  1.0
  Sr  Sr2  1  0.25106600  0.25106600  0.74943500  1.0
  Sr  Sr3  1  0.74908100  0.25105400  0.74938600  1.0
  Sr  Sr4  1  0.25111500  0.25111500  0.25041900  1.0
  Ca  Ca5  1  0.25075700  0.74901300  0.25041800  1.0
  Ca  Ca6  1  0.74897600  0.74897600  0.25031400  1.0
  Ca  Ca7  1  0.74901300  0.25075700  0.25041800  1.0
  Fe  Fe8  1  0.99929000  0.50066400  0.00208000  1.0
  Fe  Fe9  1  0.50064100  0.50064100  0.00271700  1.0
  Fe  Fe10  1  0.99906400  0.50059300  0.49807900  1.0
  Fe  Fe11  1  0.99935000  0.99935000  0.00203000  1.0
  Fe  Fe12  1  0.50066400  0.99929000  0.00208000  1.0
  Fe  Fe13  1  0.99932600  0.99932600  0.49791600  1.0
  Fe  Fe14  1  0.50059300  0.99906400  0.49807900  1.0
  Co  Co15  1  0.50060300  0.50060300  0.49788000  1.0
  O  O16  1  0.99935800  0.75069400  0.00636400  1.0
  O  O17  1  0.50037800  0.74951200  0.00644500  1.0
  O  O18  1  0.99923900  0.74892300  0.49392100  1.0
  O  O19  1  0.50020100  0.74191200  0.49401100  1.0
  O  O20  1  0.99709600  0.24930000  0.00402300  1.0
  O  O21  1  0.50309300  0.25047700  0.00402500  1.0
  O  O22  1  0.99715800  0.25105800  0.49578300  1.0
  O  O23  1  0.50378800  0.25804200  0.49529100  1.0
  O  O24  1  0.99957100  0.50069400  0.74918500  1.0
  O  O25  1  0.50094200  0.50094200  0.74437600  1.0
  O  O26  1  0.99700500  0.50258200  0.25083400  1.0
  O  O27  1  0.50280900  0.50280900  0.25574300  1.0
  O  O28  1  0.99952600  0.99952600  0.75051700  1.0
  O  O29  1  0.50069400  0.99957100  0.74918500  1.0
  O  O30  1  0.99712000  0.99712000  0.24945200  1.0
  O  O31  1  0.50258200  0.99700500  0.25083400  1.0
  O  O32  1  0.25047700  0.50309300  0.00402500  1.0
  O  O33  1  0.74951200  0.50037800  0.00644500  1.0
  O  O34  1  0.25804200  0.50378800  0.49529100  1.0
  O  O35  1  0.74191200  0.50020100  0.49401100  1.0
  O  O36  1  0.24930000  0.99709600  0.00402300  1.0
  O  O37  1  0.75069400  0.99935800  0.00636400  1.0
  O  O38  1  0.25105800  0.99715800  0.49578300  1.0
  O  O39  1  0.74892300  0.99923900  0.49392100  1.0

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