La7SmMn3Fe5O24
High-Entropy Materials HEAMP-ID: mp-1075984 · Space group: Cm (#8)
Basic Information
Formula
La7SmMn3Fe5O24
MP-ID
mp-1075984
Elements
5
Sites
40
Density
6.5753
g/cm³
Volume
492.64
ų
Cell a
7.9095
Å
Cell b
7.9095
Å
Cell c
7.8748
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
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 |
|---|---|---|---|
| 22.48 | 3.9547 | 28.2 | (2,0,0) |
| 22.58 | 3.9374 | 13.9 | (0,0,2) |
| 32.00 | 2.7965 | 50.3 | (2,-2,0) |
| 32.01 | 2.7963 | 50.3 | (2,2,0) |
| 32.08 | 2.7904 | 100.0 | (2,0,2) |
| 32.08 | 2.7902 | 100.0 | (2,0,-2) |
| 39.53 | 2.2800 | 29.1 | (2,-2,2) |
| 39.53 | 2.2800 | 14.6 | (2,2,2) |
| 39.53 | 2.2797 | 14.6 | (2,2,-2) |
| 45.89 | 1.9774 | 66.1 | (4,0,0) |
| 46.11 | 1.9687 | 32.6 | (0,0,4) |
| 51.68 | 1.7687 | 3.7 | (4,-2,0) |
| 51.69 | 1.7686 | 3.7 | (4,2,0) |
| 51.73 | 1.7671 | 3.7 | (4,0,2) |
| 51.73 | 1.7670 | 3.7 | (4,0,-2) |
| 51.88 | 1.7625 | 3.7 | (2,0,4) |
| 51.88 | 1.7624 | 3.7 | (2,0,-4) |
| 57.09 | 1.6134 | 19.3 | (4,-2,2) |
| 57.09 | 1.6134 | 19.3 | (4,-2,-2) |
| 57.09 | 1.6133 | 19.3 | (4,2,2) |
| 57.09 | 1.6132 | 19.3 | (4,2,-2) |
| 57.22 | 1.6098 | 9.6 | (2,2,4) |
| 57.23 | 1.6098 | 19.1 | (2,-2,4) |
| 57.23 | 1.6097 | 9.6 | (2,2,-4) |
Energy Properties
Formation Energy/atom
-2.77303
eV/atom
Energy/atom
-8.46948
eV/atom
Energy above Hull
0.1948
eV/atom
Uncorrected Energy
-7.6502
eV/atom
Volume/atom
12.32
ų
c/a Ratio
0.9956
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
36.9987
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.075100
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
6.7664
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
53.458%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0120
smaller = more stable mixing
VEC
4.600
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.876
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7195
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075984
Reference Citation
The crystal structure and related material properties of La7SmMn3Fe5O24 were obtained from the Materials Project database (MP-ID: mp-1075984, 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…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_La7SmMn3Fe5O24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90945110
_cell_length_b 7.90945110
_cell_length_c 7.87479604
_cell_angle_alpha 89.99599752
_cell_angle_beta 89.99599752
_cell_angle_gamma 90.00498908
_symmetry_Int_Tables_number 1
_chemical_formula_structural La7SmMn3Fe5O24
_chemical_formula_sum 'La7 Sm1 Mn3 Fe5 O24'
_cell_volume 492.64264203
_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
La La0 1 0.75013300 0.24985700 0.25121200 1.0
La La1 1 0.24987000 0.24987000 0.25124600 1.0
La La2 1 0.75015300 0.24988200 0.74881100 1.0
La La3 1 0.24988100 0.24988100 0.74877800 1.0
La La4 1 0.24985700 0.75013300 0.25121200 1.0
La La5 1 0.75012400 0.75012400 0.74876500 1.0
La La6 1 0.24988200 0.75015300 0.74881100 1.0
Sm Sm7 1 0.75002000 0.75002000 0.25106900 1.0
Mn Mn8 1 0.99971100 0.99971100 0.49970700 1.0
Mn Mn9 1 0.50027600 0.99972200 0.49973800 1.0
Mn Mn10 1 0.99972200 0.50027600 0.49973800 1.0
Fe Fe11 1 0.99970500 0.99970500 0.00030100 1.0
Fe Fe12 1 0.50028000 0.99972900 0.00027800 1.0
Fe Fe13 1 0.99972900 0.50028000 0.00027800 1.0
Fe Fe14 1 0.50027700 0.50027700 0.00028200 1.0
Fe Fe15 1 0.50029300 0.50029300 0.49971500 1.0
O O16 1 0.99994400 0.24971600 0.00007700 1.0
O O17 1 0.50005900 0.24963500 0.00007300 1.0
O O18 1 0.99993700 0.24946900 0.49995700 1.0
O O19 1 0.50007700 0.25273500 0.49996400 1.0
O O20 1 0.99874500 0.75028700 0.00127000 1.0
O O21 1 0.50125600 0.75037800 0.00126700 1.0
O O22 1 0.99863500 0.75052700 0.49865900 1.0
O O23 1 0.50135200 0.74732500 0.49868500 1.0
O O24 1 0.99872500 0.99872500 0.25001200 1.0
O O25 1 0.50130900 0.99870800 0.24919900 1.0
O O26 1 0.99994300 0.99994300 0.75004500 1.0
O O27 1 0.50006400 0.99995400 0.75085000 1.0
O O28 1 0.99870800 0.50130900 0.24919900 1.0
O O29 1 0.50124800 0.50124800 0.24956700 1.0
O O30 1 0.99995400 0.50006400 0.75085000 1.0
O O31 1 0.50005900 0.50005900 0.75043100 1.0
O O32 1 0.75028700 0.99874500 0.00127000 1.0
O O33 1 0.24971600 0.99994400 0.00007700 1.0
O O34 1 0.75052700 0.99863500 0.49865900 1.0
O O35 1 0.24946900 0.99993700 0.49995700 1.0
O O36 1 0.75037800 0.50125600 0.00126700 1.0
O O37 1 0.24963500 0.50005900 0.00007300 1.0
O O38 1 0.74732500 0.50135200 0.49868500 1.0
O O39 1 0.25273500 0.50007700 0.49996400 1.0
