Sr8Fe7CoO24

High-Entropy Materials HEA

MP-ID: mp-1077660 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Sr8Fe7CoO24

MP-ID

mp-1077660

Elements

Sites

Density

5.3334

g/cm³

Volume

477.86

Å³

Cell a

7.8181

Cell b

7.8181

Cell c

7.8181

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 8)

2θ	d (Å)	I	hkl
32.39	2.7641	100.0	(2,2,0)
39.95	2.2569	12.9	(2,2,2)
46.46	1.9545	38.6	(4,0,0)
57.77	1.5959	37.6	(4,2,2)
67.81	1.3821	22.1	(4,4,0)
77.17	1.2362	16.1	(6,2,0)
81.70	1.1786	3.8	(6,2,2)
86.18	1.1284	7.3	(4,4,4)

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Energy Properties

Formation Energy/atom

-2.18056

eV/atom

Energy/atom

-7.14842

eV/atom

Energy above Hull

0.0145

eV/atom

Uncorrected Energy

-6.3005

eV/atom

Volume/atom

11.95

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

33.4463

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.069990

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

1.0256

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.5270

J/mol·K

Ω Parameter

294.3072

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

54.965%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0412

smaller = more stable mixing

VEC

4.425

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.018

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7398

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaadzlpq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1077660

Reference Citation

The crystal structure and related material properties of Sr8Fe7CoO24 were obtained from the Materials Project database (MP-ID: mp-1077660, 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…

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Raw CIF Data

# generated using pymatgen
data_Sr8Fe7CoO24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81807300
_cell_length_b   7.81807300
_cell_length_c   7.81807300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr8Fe7CoO24
_chemical_formula_sum   'Sr8 Fe7 Co1 O24'
_cell_volume   477.85833308
_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  0.25051800  0.24948200  0.24948200  1.0
  Sr  Sr1  1  0.25051800  0.24948200  0.75051800  1.0
  Sr  Sr2  1  0.25051800  0.75051800  0.24948200  1.0
  Sr  Sr3  1  0.25051800  0.75051800  0.75051800  1.0
  Sr  Sr4  1  0.74948200  0.24948200  0.24948200  1.0
  Sr  Sr5  1  0.74948200  0.24948200  0.75051800  1.0
  Sr  Sr6  1  0.74948200  0.75051800  0.24948200  1.0
  Sr  Sr7  1  0.74948200  0.75051800  0.75051800  1.0
  Fe  Fe8  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe9  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe10  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe11  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe12  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe13  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe14  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co15  1  0.00000000  0.50000000  0.50000000  1.0
  O  O16  1  0.25162100  0.00000000  0.00000000  1.0
  O  O17  1  0.24832000  0.00000000  0.50000000  1.0
  O  O18  1  0.24832000  0.50000000  0.00000000  1.0
  O  O19  1  0.24218600  0.50000000  0.50000000  1.0
  O  O20  1  0.74837900  0.00000000  0.00000000  1.0
  O  O21  1  0.75168000  0.00000000  0.50000000  1.0
  O  O22  1  0.75168000  0.50000000  0.00000000  1.0
  O  O23  1  0.75781400  0.50000000  0.50000000  1.0
  O  O24  1  0.00000000  0.25168000  0.00000000  1.0
  O  O25  1  0.00000000  0.25781400  0.50000000  1.0
  O  O26  1  0.00000000  0.74832000  0.00000000  1.0
  O  O27  1  0.00000000  0.74218600  0.50000000  1.0
  O  O28  1  0.50000000  0.24837900  0.00000000  1.0
  O  O29  1  0.50000000  0.25168000  0.50000000  1.0
  O  O30  1  0.50000000  0.75162100  0.00000000  1.0
  O  O31  1  0.50000000  0.74832000  0.50000000  1.0
  O  O32  1  0.00000000  0.00000000  0.25168000  1.0
  O  O33  1  0.00000000  0.00000000  0.74832000  1.0
  O  O34  1  0.00000000  0.50000000  0.25781400  1.0
  O  O35  1  0.00000000  0.50000000  0.74218600  1.0
  O  O36  1  0.50000000  0.00000000  0.24837900  1.0
  O  O37  1  0.50000000  0.00000000  0.75162100  1.0
  O  O38  1  0.50000000  0.50000000  0.25168000  1.0
  O  O39  1  0.50000000  0.50000000  0.74832000  1.0

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