MgFeO3
MgFeO3 is a semiconducting iron-based oxide explored for its potential role as an oxygen-evolution catalyst in electrochemical applications.
About MgFeO3
MgFeO3 is a semiconducting oxide that serves as a subject of interest within the field of oxygen-evolution catalysts. Its electronic structure and potential for catalytic activity make it a candidate for study in electrochemical energy conversion processes. Despite its complex structural landscape, it remains a focal point for researchers investigating non-precious metal oxides.
Because this compound is found above the thermodynamic hull, it is considered inherently unstable under standard conditions. This metastability often drives researchers to utilize specialized synthetic techniques to stabilize the material, providing valuable insights into the phase space of iron-based perovskite-like oxides.
Key Properties
Cross-validated computational properties for MgFeO3, 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.
Reported Structures
Lowest-energy structures reported for MgFeO3, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.20 | 0.1134 | -6.999 | 4.08 |
| R3 (No. 146) | trigonal | 0.23 | 0.1136 | -6.998 | 4.10 |
| R-3 (No. 148) | trigonal | 0.00 | 0.1147 | -6.997 | 4.06 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.1503 | -6.962 | 4.57 |
| C2/c (No. 15) | monoclinic | 0.11 | 0.1760 | -6.936 | 3.79 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.5072 | -6.605 | 3.98 |
| No. 0 | unknown | — | — | — | 0.91 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.28 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.95 |
| R-3 (No. 148) | Trigonal | — | — | — | 4.06 |
| R-3 (No. 148) | — | — | — | — | — |
Applications
Where MgFeO3 is used.
Frequently Asked Questions
Common questions about MgFeO3, answered from cross-validated data.
What is MgFeO3?
MgFeO3 is a semiconducting iron-based oxide explored for its potential role as an oxygen-evolution catalyst in electrochemical applications.
What is MgFeO3 used for?
What is the band gap of MgFeO3?
Is MgFeO3 a metal, semiconductor, or insulator?
Is MgFeO3 thermodynamically stable?
What is the crystal structure of MgFeO3?
What is the density of MgFeO3?
How many polymorphs of MgFeO3 are known?
What elements does MgFeO3 contain?
Where does the data for MgFeO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, MgFeO3 stands apart from more robust, thermodynamically stable materials like LaMnO3 or BiFeO3. While siblings such as LiCoO2 and LiNiO2 are widely utilized for their established stability and electrochemical performance, MgFeO3 represents a more challenging, high-energy phase that requires careful manipulation to explore its catalytic potential compared to the more conventional members of the group.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze MgFeO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →