Sr24Fe16O55

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-773104 · Space group: C2/m (#12)

Materials Project API

Basic Information

Formula

Sr24Fe16O55

MP-ID

mp-773104

Elements

Sites

Density

5.1511

g/cm³

Volume

1,249.60

Å³

Cell a

11.9293

Cell b

11.9293

Cell c

11.0687

α Angle

76.59

β Angle

76.59

γ Angle

117.51

Space Group

C2/m

Point Group

2/m

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
8.67	10.1989	8.1	(1,-1,0)
17.39	5.0995	7.7	(2,-2,0)
23.14	3.8434	2.6	(1,0,-2)
23.14	3.8434	2.6	(2,1,2)
26.21	3.3996	8.7	(3,-3,0)
26.28	3.3918	1.8	(2,-1,-2)
26.28	3.3918	1.8	(3,0,2)
31.68	2.8242	100.0	(3,-2,-2)
31.68	2.8241	100.0	(4,-1,2)
32.35	2.7673	65.6	(2,2,0)
32.35	2.7672	65.6	(1,1,4)
35.20	2.5497	2.1	(4,-4,0)
36.96	2.4323	1.2	(4,0,0)
36.96	2.4322	1.2	(3,-1,4)
38.52	2.3372	7.1	(4,-3,-2)
38.52	2.3372	7.1	(5,-2,2)
42.10	2.1462	23.1	(5,-1,0)
42.10	2.1461	23.1	(4,-2,4)
44.41	2.0398	29.8	(5,-5,0)
46.29	1.9613	4.9	(5,-4,-2)
46.29	1.9613	4.9	(6,-3,2)
46.40	1.9568	41.7	(1,1,-4)
46.41	1.9567	41.7	(3,3,4)
48.55	1.8751	1.8	(6,-2,0)

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Energy Properties

Formation Energy/atom

-2.41229

eV/atom

Energy/atom

-7.13099

eV/atom

Energy above Hull

0.0003

eV/atom

Uncorrected Energy

-6.3533

eV/atom

Volume/atom

13.15

Å³

c/a Ratio

0.9279

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

66.0019

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.052820

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

O · 0.579

Element Family

Metalloid-Nonmetal

Solute Fraction

0.421

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9640

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.0147

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

55.752%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0920

smaller = more stable mixing

VEC

4.168

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8775

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.482

Family

O-rich Multi-Component

Matrix Element

O · 0.579

Related Tasks

Related computation task IDs (1)

aaaebelr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-773104

Reference Citation

The crystal structure and related material properties of Sr24Fe16O55 were obtained from the Materials Project database (MP-ID: mp-773104, 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_Sr24Fe16O55
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.92926253
_cell_length_b   11.92926253
_cell_length_c   11.06873282
_cell_angle_alpha   76.58739133
_cell_angle_beta   76.58739133
_cell_angle_gamma   117.50833022
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr24Fe16O55
_chemical_formula_sum   'Sr24 Fe16 O55'
_cell_volume   1249.60305650
_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  0.25908700  0.25908700  0.87047500  1.0
  Sr  Sr1  1  0.06840100  0.43494100  0.87447100  1.0
  Sr  Sr2  1  0.00012400  0.00012400  0.74076800  1.0
  Sr  Sr3  1  0.43494100  0.06840100  0.87447100  1.0
  Sr  Sr4  1  0.81708900  0.18328900  0.74876500  1.0
  Sr  Sr5  1  0.18328900  0.81708900  0.74876500  1.0
  Sr  Sr6  1  0.99987600  0.99987600  0.25923200  1.0
  Sr  Sr7  1  0.43297700  0.06729500  0.37462000  1.0
  Sr  Sr8  1  0.06729500  0.43297700  0.37462000  1.0
  Sr  Sr9  1  0.25147700  0.25147700  0.37423500  1.0
  Sr  Sr10  1  0.68254500  0.31745500  0.50000000  1.0
  Sr  Sr11  1  0.31745500  0.68254500  0.50000000  1.0
  Sr  Sr12  1  0.93270500  0.56702300  0.62538000  1.0
  Sr  Sr13  1  0.50000000  0.50000000  0.50000000  1.0
  Sr  Sr14  1  0.56702300  0.93270500  0.62538000  1.0
  Sr  Sr15  1  0.74852300  0.74852300  0.62576500  1.0
  Sr  Sr16  1  0.81671100  0.18291100  0.25123500  1.0
  Sr  Sr17  1  0.18291100  0.81671100  0.25123500  1.0
  Sr  Sr18  1  0.68105900  0.31894100  0.00000000  1.0
  Sr  Sr19  1  0.93159900  0.56505900  0.12552900  1.0
  Sr  Sr20  1  0.74091300  0.74091300  0.12952500  1.0
  Sr  Sr21  1  0.31894100  0.68105900  0.00000000  1.0
  Sr  Sr22  1  0.50000000  0.50000000  0.00000000  1.0
  Sr  Sr23  1  0.56505900  0.93159900  0.12552900  1.0
  Fe  Fe24  1  0.59780800  0.40323300  0.74941200  1.0
  Fe  Fe25  1  0.40323300  0.59780800  0.74941200  1.0
  Fe  Fe26  1  0.84739200  0.65438600  0.87517000  1.0
  Fe  Fe27  1  0.34606900  0.15278500  0.62589000  1.0
  Fe  Fe28  1  0.65438600  0.84739200  0.87517000  1.0
  Fe  Fe29  1  0.15278500  0.34606900  0.62589000  1.0
  Fe  Fe30  1  0.90233600  0.09766400  0.50000000  1.0
  Fe  Fe31  1  0.09766400  0.90233600  0.50000000  1.0
  Fe  Fe32  1  0.34561400  0.15260800  0.12483000  1.0
  Fe  Fe33  1  0.59676700  0.40219200  0.25058800  1.0
  Fe  Fe34  1  0.15260800  0.34561400  0.12483000  1.0
  Fe  Fe35  1  0.65393100  0.84721500  0.37411000  1.0
  Fe  Fe36  1  0.84721500  0.65393100  0.37411000  1.0
  Fe  Fe37  1  0.40219200  0.59676700  0.25058800  1.0
  Fe  Fe38  1  0.89462900  0.10537100  0.00000000  1.0
  Fe  Fe39  1  0.10537100  0.89462900  0.00000000  1.0
  O  O40  1  0.03059500  0.21069100  0.81908900  1.0
  O  O41  1  0.21069100  0.03059500  0.81908900  1.0
  O  O42  1  0.27923600  0.46999600  0.93696100  1.0
  O  O43  1  0.46999600  0.27923600  0.93696100  1.0
  O  O44  1  0.94682500  0.56182000  0.87620900  1.0
  O  O45  1  0.22056600  0.02918400  0.56255900  1.0
  O  O46  1  0.69350500  0.30623300  0.74907400  1.0
  O  O47  1  0.02918400  0.22056600  0.56255900  1.0
  O  O48  1  0.50007200  0.50007200  0.74976700  1.0
  O  O49  1  0.00000000  0.00000000  0.50000000  1.0
  O  O50  1  0.05370100  0.43950500  0.63001200  1.0
  O  O51  1  0.96946000  0.78975200  0.93964700  1.0
  O  O52  1  0.27917900  0.47026500  0.68799500  1.0
  O  O53  1  0.52905800  0.72060900  0.81182100  1.0
  O  O54  1  0.74889100  0.74889100  0.87425200  1.0
  O  O55  1  0.30623200  0.69350500  0.74907400  1.0
  O  O56  1  0.78975200  0.96946000  0.93964700  1.0
  O  O57  1  0.72060900  0.52905800  0.81182100  1.0
  O  O58  1  0.43950500  0.05370100  0.63001200  1.0
  O  O59  1  0.47026500  0.27917900  0.68799500  1.0
  O  O60  1  0.56182000  0.94682500  0.87620900  1.0
  O  O61  1  0.25116200  0.25116200  0.62316400  1.0
  O  O62  1  0.22013600  0.02897300  0.31266000  1.0
  O  O63  1  0.47142300  0.27953600  0.43705900  1.0
  O  O64  1  0.52857700  0.72046400  0.56294100  1.0
  O  O65  1  0.02897300  0.22013600  0.31266000  1.0
  O  O66  1  0.19416500  0.80583500  0.50000000  1.0
  O  O67  1  0.27953600  0.47142300  0.43705900  1.0
  O  O68  1  0.80583500  0.19416500  0.50000000  1.0
  O  O69  1  0.77986400  0.97102700  0.68734000  1.0
  O  O70  1  0.72046400  0.52857700  0.56294100  1.0
  O  O71  1  0.97102700  0.77986400  0.68734000  1.0
  O  O72  1  0.03054000  0.21024800  0.06035300  1.0
  O  O73  1  0.47094200  0.27939100  0.18817900  1.0
  O  O74  1  0.05317500  0.43818000  0.12379100  1.0
  O  O75  1  0.21024800  0.03054000  0.06035300  1.0
  O  O76  1  0.43818000  0.05317500  0.12379100  1.0
  O  O77  1  0.25110900  0.25110900  0.12574800  1.0
  O  O78  1  0.27939100  0.47094200  0.18817900  1.0
  O  O79  1  0.74883800  0.74883800  0.37683600  1.0
  O  O80  1  0.94629900  0.56049500  0.36998800  1.0
  O  O81  1  0.77943400  0.97081600  0.43744100  1.0
  O  O82  1  0.30649500  0.69376700  0.25092600  1.0
  O  O83  1  0.49992800  0.49992800  0.25023300  1.0
  O  O84  1  0.52973500  0.72082100  0.31200500  1.0
  O  O85  1  0.69376700  0.30649500  0.25092600  1.0
  O  O86  1  0.97081600  0.77943400  0.43744100  1.0
  O  O87  1  0.56049500  0.94629900  0.36998800  1.0
  O  O88  1  0.72082100  0.52973500  0.31200500  1.0
  O  O89  1  0.80141200  0.19858800  0.00000000  1.0
  O  O90  1  0.19858800  0.80141200  0.00000000  1.0
  O  O91  1  0.53000400  0.72076400  0.06303900  1.0
  O  O92  1  0.78930900  0.96940500  0.18091100  1.0
  O  O93  1  0.72076400  0.53000400  0.06303900  1.0
  O  O94  1  0.96940500  0.78931000  0.18091100  1.0

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