Mn2FeO3
Mn2FeO3 is a metastable semiconducting oxide being researched for its potential as a catalyst in oxygen-evolution reactions.
About Mn2FeO3
Mn2FeO3 is a complex oxide belonging to the oxygen-evolution catalyst class, characterized by its semiconducting electronic nature. As a metastable material, it represents a unique structural configuration within the iron-manganese-oxygen system, offering distinct pathways for catalytic surface reactions. Its structural diversity is highlighted by multiple reported configurations across major materials databases, making it an intriguing subject for fundamental solid-state chemistry. This compound is primarily studied for its potential role in electrochemical energy conversion, where its specific electronic structure influences the efficiency of oxygen-evolution processes. By leveraging the interplay between iron and manganese cations, researchers aim to optimize its catalytic activity for sustainable energy applications.
Key Properties
Cross-validated computational properties for Mn2FeO3, aggregated across 3 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.
Reported Structures
Lowest-energy structures reported for Mn2FeO3, 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. |
|---|---|---|---|---|---|
| P2/m (No. 10) | monoclinic | 0.11 | 0.0739 | -8.715 | 5.24 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.24 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.84 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.66 |
| P2/m (No. 10) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 4.06 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.63 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.57 |
Applications
Where Mn2FeO3 is used.
Frequently Asked Questions
Common questions about Mn2FeO3, answered from cross-validated data.
What is Mn2FeO3?
Mn2FeO3 is a metastable semiconducting oxide being researched for its potential as a catalyst in oxygen-evolution reactions.
What is Mn2FeO3 used for?
What is the band gap of Mn2FeO3?
Is Mn2FeO3 a metal, semiconductor, or insulator?
Is Mn2FeO3 thermodynamically stable?
What is the crystal structure of Mn2FeO3?
What is the density of Mn2FeO3?
How many polymorphs of Mn2FeO3 are known?
What elements does Mn2FeO3 contain?
Where does the data for Mn2FeO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxygen-evolution catalysts, Mn2FeO3 occupies a distinct position compared to more conventional perovskite-structured oxides like LaMnO3 or BiFeO3. While many of its class members, such as LiCoO2 or LiMn2O4, are extensively utilized in battery technologies due to their well-defined intercalation properties, Mn2FeO3 is primarily evaluated for its catalytic surface behavior. Its metastable nature sets it apart from the highly stable binary oxides like NiO, suggesting that its performance is highly sensitive to synthesis conditions and structural phase control.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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