EuFeO3
EuFeO3 is a metallic oxide catalyst containing europium and iron that is investigated for its potential role in oxygen-evolution reactions.
About EuFeO3
EuFeO3 is a complex oxide composed of europium, iron, and oxygen, belonging to the broader class of oxygen-evolution catalysts. Its metallic electronic character suggests distinct charge transport properties that are of significant interest in the development of advanced electrocatalytic materials.
While the compound exhibits a diverse range of structural configurations, its position above the thermodynamic stability hull indicates that it is a metastable phase. This metastability often presents synthetic challenges but also opens pathways for exploring unconventional catalytic behaviors in energy conversion technologies.
Key Properties
Cross-validated computational properties for EuFeO3, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of EuFeO3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for EuFeO3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0005 | -2.416 | — |
| — | — | 0.00 | 0.0006 | -2.416 | — |
| — | — | 0.00 | 0.0009 | -2.416 | — |
| — | — | 0.00 | 0.0011 | -2.416 | — |
| — | — | 0.00 | 0.0012 | -2.415 | — |
| — | — | 0.00 | 0.0017 | -2.415 | — |
| — | — | 0.00 | 0.0062 | -2.410 | — |
| — | — | 0.00 | 0.0066 | -2.410 | — |
| — | — | 0.00 | 0.0068 | -2.410 | — |
| — | — | 0.00 | 0.0077 | -2.409 | — |
| — | — | 0.00 | 0.0099 | -2.407 | — |
| — | — | 0.00 | 0.0099 | -2.407 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting EuFeO3.
Applications
Where EuFeO3 is used.
Frequently Asked Questions
Common questions about EuFeO3, answered from cross-validated data.
What is EuFeO3?
EuFeO3 is a metallic oxide catalyst containing europium and iron that is investigated for its potential role in oxygen-evolution reactions.
What is EuFeO3 used for?
What is the band gap of EuFeO3?
Is EuFeO3 a metal, semiconductor, or insulator?
Is EuFeO3 thermodynamically stable?
What is the crystal structure of EuFeO3?
What is the density of EuFeO3?
How many polymorphs of EuFeO3 are known?
How is EuFeO3 synthesized?
What elements does EuFeO3 contain?
Where does the data for EuFeO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the class of oxygen-evolution catalysts, EuFeO3 occupies a specialized niche compared to more conventional, highly stable oxides like NiO or LiCoO2. Unlike the widely utilized layered lithium-based oxides, EuFeO3 exhibits a metallic character that distinguishes it from the insulating or semiconducting nature of many other perovskite-related catalysts like BiFeO3, positioning it as a subject of fundamental study for electronic structure-property relationships.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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