Sr5Ca3FeCo7O24

High-Entropy Materials HEA

MP-ID: mp-1076107 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Sr5Ca3FeCo7O24

MP-ID

mp-1076107

Elements

Sites

Density

5.1247

g/cm³

Volume

457.11

Å³

Cell a

7.7312

Cell b

7.7312

Cell c

7.6476

α Angle

89.98

β Angle

89.98

γ Angle

89.94

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
11.45	7.7312	2.2	(1,0,0)
11.57	7.6476	8.6	(0,0,1)
16.30	5.4380	1.4	(1,0,1)
23.01	3.8656	1.7	(2,0,0)
25.82	3.4504	4.5	(2,0,1)
25.83	3.4494	4.5	(2,0,-1)
32.75	2.7349	50.8	(2,2,0)
32.78	2.7319	50.6	(2,-2,0)
32.94	2.7190	100.0	(2,0,2)
32.95	2.7180	99.9	(2,0,-2)
34.83	2.5756	1.0	(2,2,1)
34.87	2.5727	2.0	(2,-2,1)
35.21	2.5492	1.9	(0,0,3)
40.54	2.2250	6.6	(2,2,2)
40.56	2.2239	6.6	(2,2,-2)
40.59	2.2229	13.1	(2,-2,2)
47.01	1.9328	83.1	(4,0,0)
47.56	1.9119	39.5	(0,0,4)
58.57	1.5761	18.5	(4,2,2)
58.59	1.5755	18.5	(4,2,-2)
58.62	1.5748	18.4	(4,-2,2)
58.63	1.5746	18.4	(4,-2,-2)
58.93	1.5673	9.0	(2,2,4)
58.96	1.5666	9.0	(2,2,-4)

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Energy Properties

Formation Energy/atom

-1.98988

eV/atom

Energy/atom

-6.78073

eV/atom

Energy above Hull

0.0605

eV/atom

Uncorrected Energy

-6.0255

eV/atom

Volume/atom

11.43

Å³

c/a Ratio

0.9892

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

25.5430

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.055880

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

12.8951

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

54.710%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0296

smaller = more stable mixing

VEC

4.575

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.450

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7195

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaacjfxt aaadaoev

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076107

Reference Citation

The crystal structure and related material properties of Sr5Ca3FeCo7O24 were obtained from the Materials Project database (MP-ID: mp-1076107, 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_Sr5Ca3FeCo7O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73118283
_cell_length_b   7.73118283
_cell_length_c   7.64759302
_cell_angle_alpha   89.97906296
_cell_angle_beta   89.97906296
_cell_angle_gamma   89.93789117
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Ca3FeCo7O24
_chemical_formula_sum   'Sr5 Ca3 Fe1 Co7 O24'
_cell_volume   457.10538979
_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  0.75270200  0.24766300  0.25244500  1.0
  Sr  Sr1  1  0.24755100  0.24755100  0.25306700  1.0
  Sr  Sr2  1  0.75209800  0.75209800  0.25278400  1.0
  Sr  Sr3  1  0.24766300  0.75270200  0.25244500  1.0
  Sr  Sr4  1  0.75219000  0.75219000  0.74786800  1.0
  Ca  Ca5  1  0.75706300  0.24385500  0.74218100  1.0
  Ca  Ca6  1  0.24473800  0.24473800  0.74247400  1.0
  Ca  Ca7  1  0.24385500  0.75706300  0.74218100  1.0
  Fe  Fe8  1  0.00067900  0.00067900  0.99751800  1.0
  Co  Co9  1  0.49932600  0.00105400  0.99584600  1.0
  Co  Co10  1  0.00020000  0.00020000  0.50133000  1.0
  Co  Co11  1  0.49935500  0.00040900  0.50169500  1.0
  Co  Co12  1  0.00105400  0.49932600  0.99584600  1.0
  Co  Co13  1  0.49886200  0.49886200  0.99749700  1.0
  Co  Co14  1  0.00040900  0.49935500  0.50169500  1.0
  Co  Co15  1  0.49892900  0.49892900  0.50415800  1.0
  O  O16  1  0.00073300  0.25096700  0.99222500  1.0
  O  O17  1  0.49866700  0.23526500  0.99586100  1.0
  O  O18  1  0.00043400  0.24472100  0.50791300  1.0
  O  O19  1  0.49690700  0.25730300  0.50842000  1.0
  O  O20  1  0.00328400  0.74942800  0.99418500  1.0
  O  O21  1  0.49849200  0.76527800  0.99725100  1.0
  O  O22  1  0.00638600  0.75602000  0.50658400  1.0
  O  O23  1  0.49760300  0.74169500  0.50503100  1.0
  O  O24  1  0.00049900  0.00049900  0.25360300  1.0
  O  O25  1  0.50002900  0.00039200  0.26565700  1.0
  O  O26  1  0.00332300  0.00332300  0.74559100  1.0
  O  O27  1  0.49747600  0.00135800  0.73620800  1.0
  O  O28  1  0.00039200  0.50002900  0.26565700  1.0
  O  O29  1  0.49905900  0.49905900  0.23386600  1.0
  O  O30  1  0.00135800  0.49747600  0.73620800  1.0
  O  O31  1  0.49800600  0.49800600  0.76723700  1.0
  O  O32  1  0.74942800  0.00328400  0.99418500  1.0
  O  O33  1  0.25096700  0.00073300  0.99222500  1.0
  O  O34  1  0.75602000  0.00638600  0.50658400  1.0
  O  O35  1  0.24472100  0.00043400  0.50791300  1.0
  O  O36  1  0.76527800  0.49849200  0.99725100  1.0
  O  O37  1  0.23526500  0.49866700  0.99586100  1.0
  O  O38  1  0.74169500  0.49760300  0.50503100  1.0
  O  O39  1  0.25730300  0.49690700  0.50842000  1.0

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