Sr5Ca3Ti3Mn5O24

High-Entropy Materials HEA

MP-ID: mp-1075962 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Sr5Ca3Ti3Mn5O24

MP-ID

mp-1075962

Elements

Sites

Density

4.8291

g/cm³

Volume

467.86

Å³

Cell a

7.7353

Cell b

7.7754

Cell c

7.7789

α Angle

90.01

β Angle

90.01

γ Angle

90.01

Space Group

Point Group

Crystal System

Triclinic

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
11.38	7.7789	2.8	(0,0,1)
11.38	7.7754	22.8	(0,1,0)
11.44	7.7353	5.2	(1,0,0)
16.12	5.4997	2.0	(0,1,-1)
16.16	5.4854	2.0	(1,0,-1)
16.16	5.4843	2.0	(1,-1,0)
25.61	3.4787	4.9	(0,1,-2)
25.61	3.4783	5.0	(0,1,2)
25.72	3.4632	4.9	(2,-1,0)
25.73	3.4627	4.9	(2,1,0)
32.56	2.7499	100.0	(0,2,-2)
32.57	2.7494	100.0	(0,2,2)
32.65	2.7427	99.1	(2,0,-2)
32.65	2.7424	99.1	(2,0,2)
32.66	2.7422	99.0	(2,-2,0)
32.66	2.7417	99.0	(2,2,0)
34.61	2.5918	3.4	(0,3,0)
34.68	2.5865	2.3	(2,-1,-2)
34.68	2.5865	2.2	(2,1,-2)
34.68	2.5864	2.3	(2,-1,2)
34.69	2.5860	2.2	(2,1,2)
40.24	2.2412	21.2	(2,-2,2)
40.24	2.2411	21.2	(2,-2,-2)
40.24	2.2411	21.2	(2,2,-2)

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Energy Properties

Formation Energy/atom

-2.85695

eV/atom

Energy/atom

-7.92512

eV/atom

Energy above Hull

0.0522

eV/atom

Uncorrected Energy

-7.3044

eV/atom

Volume/atom

11.70

Å³

c/a Ratio

1.0056

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

15.3803

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.032870

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

1.2149

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

10.1006

J/mol·K

Ω Parameter

0.1646

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

54.795%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

1.0847

smaller = more stable mixing

VEC

3.975

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-35.789

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7549

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (2)

aaacjfuh aaadzpcx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1075962

Reference Citation

The crystal structure and related material properties of Sr5Ca3Ti3Mn5O24 were obtained from the Materials Project database (MP-ID: mp-1075962, 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_Sr5Ca3Ti3Mn5O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73531500
_cell_length_b   7.77539812
_cell_length_c   7.77890915
_cell_angle_alpha   90.00925730
_cell_angle_beta   90.00659951
_cell_angle_gamma   90.01016165
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Ca3Ti3Mn5O24
_chemical_formula_sum   'Sr5 Ca3 Ti3 Mn5 O24'
_cell_volume   467.86367027
_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  0.75392900  0.75140000  0.75131800  1.0
  Sr  Sr1  1  0.24595900  0.75138500  0.75130400  1.0
  Sr  Sr2  1  0.75397300  0.75128300  0.24870900  1.0
  Sr  Sr3  1  0.24600500  0.75136700  0.24874900  1.0
  Sr  Sr4  1  0.75431400  0.24864300  0.24859500  1.0
  Ca  Ca5  1  0.75548300  0.24833500  0.75159800  1.0
  Ca  Ca6  1  0.24438900  0.24837200  0.75171200  1.0
  Ca  Ca7  1  0.24490300  0.24831200  0.24830400  1.0
  Ti  Ti8  1  0.49901100  0.49694300  0.99929900  1.0
  Ti  Ti9  1  0.49902000  0.00208000  0.50097400  1.0
  Ti  Ti10  1  0.49896400  0.49796400  0.50066900  1.0
  Mn  Mn11  1  0.00050600  0.00150700  0.99943600  1.0
  Mn  Mn12  1  0.49936700  0.00132700  0.99954800  1.0
  Mn  Mn13  1  0.00033900  0.49821300  0.99947400  1.0
  Mn  Mn14  1  0.00038100  0.00170600  0.50057200  1.0
  Mn  Mn15  1  0.00032200  0.49835500  0.50057100  1.0
  O  O16  1  0.00028100  0.00564400  0.74992300  1.0
  O  O17  1  0.49955600  0.00424200  0.75315800  1.0
  O  O18  1  0.00021100  0.49438400  0.75020700  1.0
  O  O19  1  0.49951800  0.49634900  0.75049700  1.0
  O  O20  1  0.00274600  0.00322200  0.25002400  1.0
  O  O21  1  0.49806900  0.00279900  0.24689800  1.0
  O  O22  1  0.00278700  0.49679900  0.24980900  1.0
  O  O23  1  0.49841600  0.49741400  0.24948100  1.0
  O  O24  1  0.00027800  0.75001000  0.99977800  1.0
  O  O25  1  0.49956800  0.75306300  0.99958600  1.0
  O  O26  1  0.00264300  0.25010600  0.99731900  1.0
  O  O27  1  0.49817400  0.24676200  0.99814900  1.0
  O  O28  1  0.00015500  0.75018900  0.50023000  1.0
  O  O29  1  0.49956500  0.75056300  0.50047000  1.0
  O  O30  1  0.00275100  0.24982200  0.50267800  1.0
  O  O31  1  0.49851200  0.24951000  0.50154400  1.0
  O  O32  1  0.74961000  0.00305800  0.99724700  1.0
  O  O33  1  0.25046600  0.00560800  0.99985200  1.0
  O  O34  1  0.75294500  0.49729900  0.99807700  1.0
  O  O35  1  0.24700300  0.49591200  0.99958800  1.0
  O  O36  1  0.75293000  0.00272600  0.50190400  1.0
  O  O37  1  0.24702800  0.00415100  0.50043000  1.0
  O  O38  1  0.75326500  0.49729300  0.50190500  1.0
  O  O39  1  0.24665600  0.49588300  0.50041000  1.0

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