Fe2Co3O10
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-778217 · Space group: Pm (#6)
Basic Information
Formula
Fe2Co3O10
MP-ID
mp-778217
Elements
3
Sites
30
Density
4.3393
g/cm³
Volume
343.25
ų
Cell a
5.0259
Å
Cell b
2.9050
Å
Cell c
23.5527
Å
α Angle
90.00
°
β Angle
93.47
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 3.76 | 23.5094 | 1.4 | (0,0,1) |
| 18.81 | 4.7184 | 100.0 | (1,0,-2) |
| 36.35 | 2.4714 | 24.0 | (0,1,5) |
| 36.35 | 2.4712 | 10.9 | (1,0,8) |
| 37.92 | 2.3729 | 5.3 | (1,1,3) |
| 38.15 | 2.3592 | 3.6 | (2,0,-4) |
| 38.29 | 2.3509 | 2.5 | (0,0,10) |
| 44.03 | 2.0567 | 15.4 | (2,0,6) |
| 44.35 | 2.0425 | 31.2 | (1,1,-7) |
| 48.27 | 1.8855 | 3.1 | (2,1,1) |
| 48.27 | 1.8855 | 3.1 | (2,-1,1) |
| 48.87 | 1.8636 | 3.2 | (1,0,-12) |
| 58.27 | 1.5834 | 5.1 | (3,0,4) |
| 58.70 | 1.5728 | 1.2 | (3,0,-6) |
| 58.80 | 1.5704 | 9.6 | (2,1,-9) |
| 64.11 | 1.4525 | 4.6 | (0,2,0) |
| 64.18 | 1.4512 | 3.7 | (3,1,-1) |
| 64.18 | 1.4512 | 3.7 | (3,-1,-1) |
| 64.37 | 1.4474 | 4.3 | (1,1,13) |
| 64.37 | 1.4474 | 4.3 | (1,-1,13) |
| 64.93 | 1.4362 | 3.6 | (2,0,-14) |
| 67.47 | 1.3882 | 4.7 | (1,2,-2) |
| 67.47 | 1.3881 | 2.4 | (2,1,11) |
| 67.47 | 1.3881 | 2.4 | (2,-1,11) |
Energy Properties
Formation Energy/atom
-1.08615
eV/atom
Energy/atom
-6.94081
eV/atom
Energy above Hull
0.1263
eV/atom
Uncorrected Energy
-5.8544
eV/atom
Volume/atom
11.44
ų
c/a Ratio
4.6862
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
21.9984
μB
Mag. Ordering
FM
Mag. Sites
10
Magnetization/Volume
0.064090
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.667
Element Family
Metalloid-Nonmetal
Solute Fraction
0.333
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8609
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.1571
J/mol·K
Ω Parameter
42.3790
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
37.691%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.7450
smaller = more stable mixing
VEC
5.533
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.107
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7836
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.512
Family
O-rich Multi-Component
Matrix Element
O · 0.667
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-778217
Reference Citation
The crystal structure and related material properties of Fe2Co3O10 were obtained from the Materials Project database (MP-ID: mp-778217, 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_Fe2Co3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02593881
_cell_length_b 2.90499211
_cell_length_c 23.55269343
_cell_angle_alpha 89.99999847
_cell_angle_beta 93.47312185
_cell_angle_gamma 89.99999127
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe2Co3O10
_chemical_formula_sum 'Fe4 Co6 O20'
_cell_volume 343.24509799
_cell_formula_units_Z 2
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
Fe Fe0 1 0.50406400 0.00000000 0.50171400 1.0
Fe Fe1 1 0.10460700 0.00000000 0.30149200 1.0
Fe Fe2 1 0.89702200 0.50000000 0.19974700 1.0
Fe Fe3 1 0.69367200 0.00000000 0.09702900 1.0
Co Co4 1 0.29645300 0.00000000 0.89838900 1.0
Co Co5 1 0.09968500 0.50000000 0.79986400 1.0
Co Co6 1 0.90251900 0.00000000 0.70118700 1.0
Co Co7 1 0.70489700 0.50000000 0.60246600 1.0
Co Co8 1 0.30167300 0.50000000 0.40154100 1.0
Co Co9 1 0.49595500 0.50000000 0.99612000 1.0
O O10 1 0.59939000 0.00000000 0.95018500 1.0
O O11 1 0.19338400 0.50000000 0.94498800 1.0
O O12 1 0.99569100 0.00000000 0.84633500 1.0
O O13 1 0.40045300 0.50000000 0.85222100 1.0
O O14 1 0.20432000 0.00000000 0.75365400 1.0
O O15 1 0.79939100 0.50000000 0.74793800 1.0
O O16 1 0.60300400 0.00000000 0.64860400 1.0
O O17 1 0.81506900 0.00000000 0.55674900 1.0
O O18 1 0.00321300 0.50000000 0.65483500 1.0
O O19 1 0.40065400 0.50000000 0.55232700 1.0
O O20 1 0.60433600 0.50000000 0.45093600 1.0
O O21 1 0.19202400 0.00000000 0.44667800 1.0
O O22 1 0.41050600 0.00000000 0.35609400 1.0
O O23 1 0.99982500 0.50000000 0.35258000 1.0
O O24 1 0.79143500 0.00000000 0.25104100 1.0
O O25 1 0.22417800 0.50000000 0.25505000 1.0
O O26 1 0.00214200 0.00000000 0.14763900 1.0
O O27 1 0.57015600 0.50000000 0.14331700 1.0
O O28 1 0.80210700 0.50000000 0.04695600 1.0
O O29 1 0.38817300 0.00000000 0.04232500 1.0
