Sr4Ca4Fe3Co5O24
High-Entropy Materials HEAMP-ID: mp-1076674 · Space group: P1 (#1)
Basic Information
Formula
Sr4Ca4Fe3Co5O24
MP-ID
mp-1076674
Elements
5
Sites
40
Density
4.8893
g/cm³
Volume
460.87
ų
Cell a
7.7049
Å
Cell b
7.7163
Å
Cell c
7.7518
Å
α Angle
90.01
°
β Angle
90.02
°
γ Angle
90.06
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 11.48 | 7.7049 | 8.5 | (1,0,0) |
| 16.22 | 5.4658 | 5.5 | (1,0,-1) |
| 16.22 | 5.4636 | 4.5 | (1,0,1) |
| 16.25 | 5.4548 | 5.6 | (1,-1,0) |
| 16.27 | 5.4496 | 4.6 | (1,1,0) |
| 19.90 | 4.4614 | 3.6 | (1,-1,-1) |
| 19.90 | 4.4607 | 3.5 | (1,-1,1) |
| 19.91 | 4.4590 | 3.6 | (1,1,-1) |
| 19.92 | 4.4573 | 3.5 | (1,1,1) |
| 22.95 | 3.8759 | 4.2 | (0,0,2) |
| 23.05 | 3.8581 | 4.3 | (0,2,0) |
| 23.09 | 3.8525 | 4.1 | (2,0,0) |
| 25.73 | 3.4631 | 2.2 | (1,0,-2) |
| 25.73 | 3.4619 | 2.2 | (1,0,2) |
| 25.82 | 3.4511 | 2.2 | (1,-2,0) |
| 25.84 | 3.4485 | 2.2 | (1,2,0) |
| 28.24 | 3.1598 | 1.6 | (1,-1,-2) |
| 28.25 | 3.1593 | 1.4 | (1,-1,2) |
| 28.25 | 3.1591 | 1.8 | (1,1,-2) |
| 28.26 | 3.1579 | 2.0 | (1,1,2) |
| 28.31 | 3.1528 | 1.6 | (1,-2,-1) |
| 28.31 | 3.1528 | 1.9 | (1,-2,1) |
| 28.32 | 3.1512 | 1.6 | (1,2,-1) |
| 28.33 | 3.1504 | 1.9 | (1,2,1) |
Energy Properties
Formation Energy/atom
-2.04638
eV/atom
Energy/atom
-6.91189
eV/atom
Energy above Hull
0.0599
eV/atom
Uncorrected Energy
-6.1257
eV/atom
Volume/atom
11.52
ų
c/a Ratio
1.0061
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
27.4981
μB
Mag. Ordering
FM
Mag. Sites
14
Magnetization/Volume
0.059670
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
1.2212
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.1532
J/mol·K
Ω Parameter
772.2581
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
54.614%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0295
smaller = more stable mixing
VEC
4.525
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.008
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7588
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1076674
Reference Citation
The crystal structure and related material properties of Sr4Ca4Fe3Co5O24 were obtained from the Materials Project database (MP-ID: mp-1076674, 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_Sr4Ca4Fe3Co5O24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.70491000
_cell_length_b 7.71625560
_cell_length_c 7.75183176
_cell_angle_alpha 90.01051028
_cell_angle_beta 90.02305333
_cell_angle_gamma 90.05531133
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr4Ca4Fe3Co5O24
_chemical_formula_sum 'Sr4 Ca4 Fe3 Co5 O24'
_cell_volume 460.86981927
_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 0.25003400 0.75399900 0.74764300 1.0
Sr Sr1 1 0.25008900 0.24573100 0.74776200 1.0
Sr Sr2 1 0.25006300 0.24621900 0.25197300 1.0
Sr Sr3 1 0.74981200 0.75392600 0.25184400 1.0
Ca Ca4 1 0.75152200 0.76129800 0.74858400 1.0
Ca Ca5 1 0.75151900 0.23925600 0.74804100 1.0
Ca Ca6 1 0.24831500 0.76053000 0.25243000 1.0
Ca Ca7 1 0.75162300 0.24039700 0.25162100 1.0
Fe Fe8 1 0.99897400 0.99996500 0.00009000 1.0
Fe Fe9 1 0.99792700 0.50005500 0.99989200 1.0
Fe Fe10 1 0.50084200 0.00004600 0.00013700 1.0
Co Co11 1 0.50126000 0.50013500 0.00004000 1.0
Co Co12 1 0.99850200 0.99993200 0.49983600 1.0
Co Co13 1 0.99816600 0.50004700 0.49989800 1.0
Co Co14 1 0.50162800 0.99986200 0.49982700 1.0
Co Co15 1 0.50266300 0.49990000 0.50002600 1.0
O O16 1 0.99271700 0.00017400 0.74977100 1.0
O O17 1 0.99433900 0.49982600 0.75311800 1.0
O O18 1 0.50640600 0.00024300 0.74707100 1.0
O O19 1 0.50447700 0.49992800 0.73080900 1.0
O O20 1 0.99673900 0.00044000 0.25044800 1.0
O O21 1 0.99776000 0.49944500 0.24660100 1.0
O O22 1 0.50323600 0.00052100 0.25309800 1.0
O O23 1 0.50128900 0.49983300 0.26915000 1.0
O O24 1 0.24910400 0.99762900 0.00208500 1.0
O O25 1 0.26662500 0.50121800 0.00154600 1.0
O O26 1 0.75061800 0.00196200 0.99859100 1.0
O O27 1 0.73336100 0.49939700 0.99874700 1.0
O O28 1 0.25094900 0.99625400 0.49292600 1.0
O O29 1 0.23410800 0.50295700 0.49867100 1.0
O O30 1 0.74945000 0.00213700 0.50768200 1.0
O O31 1 0.76485900 0.49683000 0.50027000 1.0
O O32 1 0.99836300 0.74854500 0.99971800 1.0
O O33 1 0.99424600 0.25146500 0.99990600 1.0
O O34 1 0.50198300 0.74959800 0.99942000 1.0
O O35 1 0.50473700 0.25061800 0.00001500 1.0
O O36 1 0.99773800 0.76474500 0.50041200 1.0
O O37 1 0.99609300 0.23504600 0.50002200 1.0
O O38 1 0.50182500 0.76023200 0.50029200 1.0
O O39 1 0.50603900 0.23965800 0.49998600 1.0
