Basic Information
Formula
EuFeO3
MP-ID
mp-1011260
Elements
3
Sites
10
Density
7.1258
g/cm³
Volume
119.22
ų
Cell a
5.5224
Å
Cell b
5.5224
Å
Cell c
5.5224
Å
α Angle
120.33
°
β Angle
119.51
°
γ Angle
90.14
°
Space Group
Imma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oI
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 |
|---|---|---|---|
| 22.75 | 3.9093 | 17.8 | (0,0,1) |
| 22.80 | 3.9003 | 9.8 | (1,1,-1) |
| 32.18 | 2.7817 | 22.4 | (1,-1,1) |
| 32.43 | 2.7611 | 100.0 | (1,1,0) |
| 32.59 | 2.7472 | 24.1 | (1,-1,-1) |
| 38.05 | 2.3650 | 2.1 | (1,0,1) |
| 39.80 | 2.2647 | 11.8 | (2,0,0) |
| 40.15 | 2.2460 | 13.4 | (0,2,0) |
| 46.46 | 1.9547 | 28.6 | (0,0,2) |
| 46.57 | 1.9501 | 13.1 | (2,2,-2) |
| 52.05 | 1.7571 | 2.9 | (1,-1,2) |
| 52.36 | 1.7475 | 4.0 | (1,1,1) |
| 52.43 | 1.7451 | 4.6 | (2,2,-1) |
| 52.61 | 1.7396 | 2.3 | (1,-1,-2) |
| 57.53 | 1.6020 | 21.2 | (2,0,1) |
| 57.73 | 1.5968 | 10.2 | (3,1,-1) |
| 58.00 | 1.5902 | 11.0 | (1,3,-1) |
| 58.06 | 1.5888 | 18.8 | (0,2,1) |
| 67.32 | 1.3908 | 3.8 | (2,-2,2) |
| 67.89 | 1.3806 | 14.8 | (2,2,0) |
| 68.28 | 1.3736 | 4.5 | (2,-2,-2) |
| 72.40 | 1.3054 | 2.3 | (3,1,0) |
| 72.54 | 1.3031 | 1.2 | (0,0,3) |
| 72.86 | 1.2982 | 1.9 | (1,3,0) |
Energy Properties
Formation Energy/atom
-2.41320
eV/atom
Energy/atom
-9.13361
eV/atom
Energy above Hull
0.1629
eV/atom
Uncorrected Energy
-8.2702
eV/atom
Volume/atom
11.92
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
21.9943
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.184480
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9503
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.9005
J/mol·K
Ω Parameter
0.0000
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
51.291%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9639
smaller = more stable mixing
VEC
5.400
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.000
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8650
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1011260
Reference Citation
The crystal structure and related material properties of EuFeO3 were obtained from the Materials Project database (MP-ID: mp-1011260, 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_EuFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52242708
_cell_length_b 5.52242708
_cell_length_c 5.52242708
_cell_angle_alpha 120.33491129
_cell_angle_beta 119.50903296
_cell_angle_gamma 90.13668600
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuFeO3
_chemical_formula_sum 'Eu2 Fe2 O6'
_cell_volume 119.22227858
_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
Eu Eu0 1 0.23908800 0.25000000 0.98908800 1.0
Eu Eu1 1 0.76091200 0.75000000 0.01091200 1.0
Fe Fe2 1 0.00000000 0.50000000 0.50000000 1.0
Fe Fe3 1 0.50000000 0.00000000 0.50000000 1.0
O O4 1 0.79785900 0.29785900 0.00000000 1.0
O O5 1 0.20214100 0.20214100 0.50000000 1.0
O O6 1 0.20214100 0.70214100 0.00000000 1.0
O O7 1 0.79785900 0.79785900 0.50000000 1.0
O O8 1 0.33607200 0.75000000 0.58607200 1.0
O O9 1 0.66392800 0.25000000 0.41392800 1.0
