BaSr7Fe7CoO24
High-Entropy Materials HEAMP-ID: mp-1075935 · Space group: R3m (#160)
Basic Information
Formula
BaSr7Fe7CoO24
MP-ID
mp-1075935
Elements
5
Sites
40
Density
5.4221
g/cm³
Volume
485.26
ų
Cell a
7.8582
Å
Cell b
7.8582
Å
Cell c
7.8582
Å
α Angle
89.99
°
β Angle
89.99
°
γ Angle
89.99
°
Space Group
R3m
Point Group
3m
Crystal System
Trigonal
Bravais Lattice
hR
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 |
|---|---|---|---|
| 11.26 | 7.8582 | 1.4 | (1,0,0) |
| 15.95 | 5.5560 | 1.0 | (1,0,-1) |
| 22.63 | 3.9291 | 2.9 | (2,0,0) |
| 32.22 | 2.7786 | 100.0 | (2,2,0) |
| 32.22 | 2.7780 | 99.9 | (2,0,-2) |
| 39.73 | 2.2690 | 6.8 | (2,2,2) |
| 39.74 | 2.2683 | 20.5 | (2,2,-2) |
| 46.21 | 1.9646 | 75.5 | (4,0,0) |
| 52.04 | 1.7573 | 1.3 | (4,2,0) |
| 52.05 | 1.7570 | 1.3 | (4,0,-2) |
| 57.44 | 1.6044 | 18.9 | (4,2,2) |
| 57.45 | 1.6040 | 12.6 | (4,2,-2) |
| 57.45 | 1.6040 | 25.2 | (4,-2,2) |
| 57.46 | 1.6039 | 18.9 | (4,-2,-2) |
| 67.41 | 1.3893 | 21.7 | (4,4,0) |
| 67.42 | 1.3890 | 21.7 | (4,0,-4) |
| 76.69 | 1.2426 | 10.8 | (6,2,0) |
| 76.69 | 1.2426 | 5.4 | (2,0,6) |
| 76.71 | 1.2424 | 10.8 | (6,0,-2) |
| 76.71 | 1.2424 | 5.4 | (2,0,-6) |
| 81.18 | 1.1848 | 1.4 | (6,2,2) |
| 81.20 | 1.1847 | 2.7 | (6,2,-2) |
| 81.20 | 1.1847 | 1.4 | (2,-2,6) |
| 81.21 | 1.1846 | 2.0 | (6,-2,-2) |
Energy Properties
Formation Energy/atom
-2.16873
eV/atom
Energy/atom
-7.14225
eV/atom
Energy above Hull
0.0324
eV/atom
Uncorrected Energy
-6.2943
eV/atom
Volume/atom
12.13
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
33.7504
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.069550
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
1.1010
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1535
J/mol·K
Ω Parameter
315.2766
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
55.462%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
1.0437
smaller = more stable mixing
VEC
4.425
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.018
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6841
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1075935
Reference Citation
The crystal structure and related material properties of BaSr7Fe7CoO24 were obtained from the Materials Project database (MP-ID: mp-1075935, 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_BaSr7Fe7CoO24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.85822691
_cell_length_b 7.85822691
_cell_length_c 7.85822639
_cell_angle_alpha 89.98716616
_cell_angle_beta 89.98716616
_cell_angle_gamma 89.98716244
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaSr7Fe7CoO24
_chemical_formula_sum 'Ba1 Sr7 Fe7 Co1 O24'
_cell_volume 485.25903915
_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
Ba Ba0 1 0.74987200 0.74987200 0.74987200 1.0
Sr Sr1 1 0.75032100 0.24965400 0.75032100 1.0
Sr Sr2 1 0.75033100 0.24963100 0.24963100 1.0
Sr Sr3 1 0.75032100 0.75032100 0.24965400 1.0
Sr Sr4 1 0.24963100 0.24963100 0.75033100 1.0
Sr Sr5 1 0.24967800 0.24967800 0.24967800 1.0
Sr Sr6 1 0.24965400 0.75032100 0.75032100 1.0
Sr Sr7 1 0.24963100 0.75033100 0.24963100 1.0
Fe Fe8 1 0.49928100 0.00067800 0.00067800 1.0
Fe Fe9 1 0.49933300 0.00096200 0.49933300 1.0
Fe Fe10 1 0.49933300 0.49933300 0.00096200 1.0
Fe Fe11 1 0.00071400 0.00071400 0.00071400 1.0
Fe Fe12 1 0.00067800 0.00067800 0.49928100 1.0
Fe Fe13 1 0.00067800 0.49928100 0.00067800 1.0
Fe Fe14 1 0.00096200 0.49933300 0.49933300 1.0
Co Co15 1 0.49918200 0.49918200 0.49918200 1.0
O O16 1 0.75132800 0.00307500 0.00307500 1.0
O O17 1 0.74864900 0.00321300 0.49687200 1.0
O O18 1 0.74864900 0.49687200 0.00321300 1.0
O O19 1 0.74252800 0.49709300 0.49709300 1.0
O O20 1 0.24866200 0.00037400 0.00037400 1.0
O O21 1 0.25135600 0.00035700 0.49961600 1.0
O O22 1 0.25135600 0.49961600 0.00035700 1.0
O O23 1 0.25733800 0.49966500 0.49966500 1.0
O O24 1 0.49961600 0.25135600 0.00035700 1.0
O O25 1 0.49966500 0.25733800 0.49966500 1.0
O O26 1 0.49687200 0.74864900 0.00321300 1.0
O O27 1 0.49709300 0.74252800 0.49709300 1.0
O O28 1 0.00037400 0.24866200 0.00037400 1.0
O O29 1 0.00035700 0.25135600 0.49961600 1.0
O O30 1 0.00307500 0.75132800 0.00307500 1.0
O O31 1 0.00321300 0.74864900 0.49687200 1.0
O O32 1 0.49687200 0.00321300 0.74864900 1.0
O O33 1 0.49961600 0.00035700 0.25135600 1.0
O O34 1 0.49709300 0.49709300 0.74252800 1.0
O O35 1 0.49966500 0.49966500 0.25733800 1.0
O O36 1 0.00307500 0.00307500 0.75132800 1.0
O O37 1 0.00037400 0.00037400 0.24866200 1.0
O O38 1 0.00321300 0.49687200 0.74864900 1.0
O O39 1 0.00035700 0.49961600 0.25135600 1.0
