Sr7CaMn3Fe5O24
High-Entropy Materials HEAMP-ID: mp-1076651 · Space group: Cm (#8)
Basic Information
Formula
Sr7CaMn3Fe5O24
MP-ID
mp-1076651
Elements
5
Sites
40
Density
5.1733
g/cm³
Volume
475.52
ų
Cell a
7.7967
Å
Cell b
7.7967
Å
Cell c
7.8225
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
89.99
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 11.35 | 7.7967 | 1.9 | (1,0,0) |
| 16.05 | 5.5224 | 1.0 | (1,0,1) |
| 32.42 | 2.7612 | 100.0 | (2,0,2) |
| 32.43 | 2.7610 | 100.0 | (2,0,-2) |
| 32.48 | 2.7568 | 49.8 | (2,2,0) |
| 32.48 | 2.7563 | 49.8 | (2,-2,0) |
| 40.01 | 2.2534 | 9.7 | (2,2,2) |
| 40.01 | 2.2533 | 9.7 | (2,2,-2) |
| 40.02 | 2.2531 | 19.3 | (2,-2,2) |
| 46.43 | 1.9556 | 40.1 | (0,0,4) |
| 46.60 | 1.9492 | 79.4 | (4,0,0) |
| 57.80 | 1.5951 | 9.4 | (2,2,4) |
| 57.81 | 1.5950 | 9.4 | (2,2,-4) |
| 57.81 | 1.5950 | 18.7 | (2,-2,4) |
| 57.91 | 1.5925 | 18.6 | (4,2,2) |
| 57.91 | 1.5924 | 18.6 | (4,2,-2) |
| 57.91 | 1.5923 | 18.6 | (4,-2,2) |
| 57.92 | 1.5923 | 18.6 | (4,-2,-2) |
| 67.89 | 1.3806 | 22.6 | (4,0,4) |
| 67.89 | 1.3805 | 22.6 | (4,0,-4) |
| 68.01 | 1.3784 | 11.3 | (4,4,0) |
| 68.03 | 1.3782 | 11.2 | (4,-4,0) |
| 77.14 | 1.2365 | 8.0 | (2,0,6) |
| 77.15 | 1.2364 | 8.0 | (2,0,-6) |
Energy Properties
Formation Energy/atom
-2.30635
eV/atom
Energy/atom
-7.36735
eV/atom
Energy above Hull
0.0257
eV/atom
Uncorrected Energy
-6.5481
eV/atom
Volume/atom
11.89
ų
c/a Ratio
1.0033
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
31.9618
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.067210
μB/ų
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
19.2883
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
54.866%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0586
smaller = more stable mixing
VEC
4.325
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.292
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7195
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1076651
Reference Citation
The crystal structure and related material properties of Sr7CaMn3Fe5O24 were obtained from the Materials Project database (MP-ID: mp-1076651, 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_Sr7CaMn3Fe5O24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.79671284
_cell_length_b 7.79671284
_cell_length_c 7.82252502
_cell_angle_alpha 89.99717191
_cell_angle_beta 89.99717191
_cell_angle_gamma 89.98953461
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr7CaMn3Fe5O24
_chemical_formula_sum 'Sr7 Ca1 Mn3 Fe5 O24'
_cell_volume 475.52136138
_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 0.74963600 0.25038000 0.25077000 1.0
Sr Sr1 1 0.74961000 0.25037100 0.74925500 1.0
Sr Sr2 1 0.74963100 0.74963100 0.74919900 1.0
Sr Sr3 1 0.25034200 0.25034200 0.25082600 1.0
Sr Sr4 1 0.25036700 0.25036700 0.74921100 1.0
Sr Sr5 1 0.25038000 0.74963600 0.25077000 1.0
Sr Sr6 1 0.25037100 0.74961000 0.74925500 1.0
Ca Ca7 1 0.74957300 0.74957300 0.25094800 1.0
Mn Mn8 1 0.99946900 0.50046600 0.49952900 1.0
Mn Mn9 1 0.50046600 0.99946900 0.49952900 1.0
Mn Mn10 1 0.50046000 0.50046000 0.49955900 1.0
Fe Fe11 1 0.99949000 0.99949000 0.00053700 1.0
Fe Fe12 1 0.99954400 0.99954400 0.49955600 1.0
Fe Fe13 1 0.99953700 0.50044300 0.00048100 1.0
Fe Fe14 1 0.50044300 0.99953700 0.00048100 1.0
Fe Fe15 1 0.50049700 0.50049700 0.00055300 1.0
O O16 1 0.75105000 0.99787000 0.00213200 1.0
O O17 1 0.74647000 0.99781400 0.49781900 1.0
O O18 1 0.74979700 0.50213100 0.00214000 1.0
O O19 1 0.74940700 0.50238800 0.49763200 1.0
O O20 1 0.24890100 0.99959500 0.00040200 1.0
O O21 1 0.25365600 0.99960100 0.49962600 1.0
O O22 1 0.25020600 0.50035200 0.00038200 1.0
O O23 1 0.25058700 0.50027000 0.49970900 1.0
O O24 1 0.99959500 0.24890100 0.00040200 1.0
O O25 1 0.99960100 0.25365600 0.49962600 1.0
O O26 1 0.99787000 0.75105000 0.00213200 1.0
O O27 1 0.99781400 0.74647000 0.49781900 1.0
O O28 1 0.50035200 0.25020600 0.00038200 1.0
O O29 1 0.50027000 0.25058700 0.49970900 1.0
O O30 1 0.50213100 0.74979700 0.00214000 1.0
O O31 1 0.50238800 0.74940700 0.49763200 1.0
O O32 1 0.99784900 0.99784900 0.24818800 1.0
O O33 1 0.99959200 0.99959200 0.75189400 1.0
O O34 1 0.99779300 0.50223700 0.25313000 1.0
O O35 1 0.99961200 0.50040600 0.74678600 1.0
O O36 1 0.50223700 0.99779300 0.25313000 1.0
O O37 1 0.50040600 0.99961200 0.74678600 1.0
O O38 1 0.50222000 0.50222000 0.25297400 1.0
O O39 1 0.50038200 0.50038200 0.74697100 1.0
