Mg2FeO4
Mg2FeO4 is a semimetallic iron-magnesium oxide that serves as a subject of investigation in the field of oxygen-evolution catalysis.
About Mg2FeO4
Mg2FeO4 is a complex oxide containing iron and magnesium that functions within the category of oxygen-evolution catalysts. Its electronic structure is characterized as near-zero-gap, placing it in the semimetallic regime, which is a notable departure from many typical insulating oxide catalysts.
Due to its position above the thermodynamic hull, this compound is considered metastable, reflecting the synthetic challenges often associated with such iron-based oxides. Despite this, the material has been documented across multiple structural databases, highlighting its interest for researchers studying catalytic pathways in energy conversion.
Key Properties
Cross-validated computational properties for Mg2FeO4, 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 Mg2FeO4, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.00 | 0.1278 | -6.760 | 3.64 |
| P21/c (No. 14) | monoclinic | 0.01 | 0.1367 | -6.751 | 3.76 |
| Fd-3m (No. 227) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.93 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.09 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.76 |
| Fd-3m (No. 227) | Cubic | — | — | — | 3.64 |
| Fd-3m (No. 227) | Cubic | — | — | — | 4.02 |
| Fd-3m (No. 227) | Cubic | — | — | — | 3.89 |
Applications
Where Mg2FeO4 is used.
Frequently Asked Questions
Common questions about Mg2FeO4, answered from cross-validated data.
What is Mg2FeO4?
Mg2FeO4 is a semimetallic iron-magnesium oxide that serves as a subject of investigation in the field of oxygen-evolution catalysis.
What is Mg2FeO4 used for?
What is the band gap of Mg2FeO4?
Is Mg2FeO4 a metal, semiconductor, or insulator?
Is Mg2FeO4 thermodynamically stable?
What is the crystal structure of Mg2FeO4?
What is the density of Mg2FeO4?
How many polymorphs of Mg2FeO4 are known?
What elements does Mg2FeO4 contain?
Where does the data for Mg2FeO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly stable and widely utilized LiCoO2 or LiMn2O4, which are cornerstones of battery technology, Mg2FeO4 exhibits a distinct semimetallic character that differentiates it from the more traditional semiconducting or insulating members of the oxide catalyst class like NiO or BiFeO3.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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