Sr5Ca3Mn7FeO24

High-Entropy Materials HEA

MP-ID: mp-1076080 · Space group: Cm (#8)

Materials Project API

Basic Information

Formula

Sr5Ca3Mn7FeO24

MP-ID

mp-1076080

Elements

Sites

Density

4.9710

g/cm³

Volume

461.89

Å³

Cell a

7.7311

Cell b

7.7311

Cell c

7.7278

α Angle

89.99

β Angle

89.99

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
11.45	7.7311	2.2	(1,0,0)
11.45	7.7278	9.7	(0,0,1)
16.22	5.4660	1.2	(1,0,1)
16.22	5.4651	1.2	(1,0,-1)
25.77	3.4574	4.7	(2,0,1)
25.77	3.4570	4.7	(2,0,-1)
32.76	2.7337	50.0	(2,-2,0)
32.77	2.7331	50.0	(2,2,0)
32.77	2.7330	100.0	(2,0,2)
32.77	2.7326	99.9	(2,0,-2)
34.81	2.5772	2.2	(2,-2,1)
34.82	2.5769	1.1	(2,2,1)
34.82	2.5765	1.1	(2,2,-1)
34.83	2.5759	1.9	(0,0,3)
40.42	2.2316	17.7	(2,-2,2)
40.42	2.2315	8.9	(2,2,2)
40.43	2.2311	8.9	(2,2,-2)
47.01	1.9328	85.0	(4,0,0)
47.04	1.9320	42.3	(0,0,4)
58.48	1.5782	18.3	(4,-2,2)
58.49	1.5781	18.3	(4,-2,-2)
58.49	1.5780	18.3	(4,2,2)
58.50	1.5778	9.2	(2,2,4)
58.50	1.5778	18.3	(4,2,-2)

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Energy Properties

Formation Energy/atom

-2.40970

eV/atom

Energy/atom

-7.55555

eV/atom

Energy above Hull

0.0714

eV/atom

Uncorrected Energy

-6.7951

eV/atom

Volume/atom

11.55

Å³

c/a Ratio

0.9996

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

27.3032

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.059110

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

12.1393

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

54.678%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0783

smaller = more stable mixing

VEC

4.225

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.443

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7195

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaacjfxg aaaczdfs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1076080

Reference Citation

The crystal structure and related material properties of Sr5Ca3Mn7FeO24 were obtained from the Materials Project database (MP-ID: mp-1076080, 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_Sr5Ca3Mn7FeO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73113083
_cell_length_b   7.73113083
_cell_length_c   7.72780120
_cell_angle_alpha   89.99074773
_cell_angle_beta   89.99074773
_cell_angle_gamma   90.01270273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Ca3Mn7FeO24
_chemical_formula_sum   'Sr5 Ca3 Mn7 Fe1 O24'
_cell_volume   461.89362077
_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  0.24981500  0.75028800  0.75017900  1.0
  Sr  Sr1  1  0.24971600  0.24971600  0.75034600  1.0
  Sr  Sr2  1  0.75023100  0.75023100  0.75039900  1.0
  Sr  Sr3  1  0.75028800  0.24981500  0.75017900  1.0
  Sr  Sr4  1  0.75025800  0.75025800  0.24973800  1.0
  Ca  Ca5  1  0.24985800  0.74986900  0.25012800  1.0
  Ca  Ca6  1  0.25019900  0.25019900  0.24997000  1.0
  Ca  Ca7  1  0.74986900  0.24985800  0.25012800  1.0
  Mn  Mn8  1  0.00084900  0.49950700  0.00252600  1.0
  Mn  Mn9  1  0.00085000  0.00085000  0.49840800  1.0
  Mn  Mn10  1  0.00068200  0.49952300  0.49850400  1.0
  Mn  Mn11  1  0.49950700  0.00084900  0.00252600  1.0
  Mn  Mn12  1  0.49956700  0.49956700  0.00207900  1.0
  Mn  Mn13  1  0.49952300  0.00068200  0.49850400  1.0
  Mn  Mn14  1  0.49949400  0.49949400  0.49830800  1.0
  Fe  Fe15  1  0.00080600  0.00080600  0.00245100  1.0
  O  O16  1  0.25478000  0.00093500  0.00638800  1.0
  O  O17  1  0.25066100  0.49921500  0.00770600  1.0
  O  O18  1  0.25057900  0.00036400  0.49227300  1.0
  O  O19  1  0.25003100  0.49947600  0.49218000  1.0
  O  O20  1  0.74522000  0.00290300  0.00457600  1.0
  O  O21  1  0.74929200  0.49641100  0.00445600  1.0
  O  O22  1  0.74933100  0.00376700  0.49497600  1.0
  O  O23  1  0.74997600  0.49633800  0.49537500  1.0
  O  O24  1  0.00079700  0.00079700  0.74525400  1.0
  O  O25  1  0.00042600  0.49934000  0.74921400  1.0
  O  O26  1  0.00263300  0.00263300  0.25490800  1.0
  O  O27  1  0.00362100  0.49654600  0.25058700  1.0
  O  O28  1  0.49934000  0.00042600  0.74921400  1.0
  O  O29  1  0.49946800  0.49946800  0.74997500  1.0
  O  O30  1  0.49654600  0.00362100  0.25058700  1.0
  O  O31  1  0.49637500  0.49637500  0.25002700  1.0
  O  O32  1  0.00290300  0.74522000  0.00457600  1.0
  O  O33  1  0.00093500  0.25478000  0.00638800  1.0
  O  O34  1  0.00376700  0.74933100  0.49497600  1.0
  O  O35  1  0.00036400  0.25057900  0.49227300  1.0
  O  O36  1  0.49641100  0.74929200  0.00445600  1.0
  O  O37  1  0.49921500  0.25066100  0.00770600  1.0
  O  O38  1  0.49633800  0.74997600  0.49537500  1.0
  O  O39  1  0.49947600  0.25003100  0.49218000  1.0

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