Mg4FeO5
Mg4FeO5 is a stable, insulating magnesium-iron oxide that serves as a research candidate in the field of oxygen-evolution catalysis.
About Mg4FeO5
Mg4FeO5 is a complex oxide composed of magnesium, iron, and oxygen. As a wide-band-gap insulator, it represents a distinct electronic profile within the broader category of oxygen-evolution catalysts, where its structural arrangement plays a critical role in its chemical potential.
This compound is recognized for its thermodynamic stability, positioning it as a near-hull material that is likely synthesizable for experimental research. Its presence in multiple structural databases underscores its significance as a candidate for advanced catalytic investigations.
Key Properties
Cross-validated computational properties for Mg4FeO5, 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 Mg4FeO5, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 3.26 | 0.0093 | -6.697 | 3.93 |
| R-3m (No. 166) | trigonal | 2.82 | 0.0095 | -6.697 | 4.14 |
| R-3m (No. 166) | trigonal | 0.02 | 0.0107 | -6.696 | 3.94 |
| Immm (No. 71) | orthorhombic | 3.29 | 0.0114 | -6.695 | 3.94 |
| C2/m (No. 12) | monoclinic | 3.46 | 0.0122 | -6.694 | 4.10 |
| P2/c (No. 13) | monoclinic | 1.12 | 0.0287 | -8.733 | 4.12 |
| Fddd (No. 70) | orthorhombic | 0.54 | 0.0329 | -8.729 | 4.11 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.94 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.22 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.12 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.21 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.93 |
Applications
Where Mg4FeO5 is used.
Frequently Asked Questions
Common questions about Mg4FeO5, answered from cross-validated data.
What is Mg4FeO5?
Mg4FeO5 is a stable, insulating magnesium-iron oxide that serves as a research candidate in the field of oxygen-evolution catalysis.
What is Mg4FeO5 used for?
What is the band gap of Mg4FeO5?
Is Mg4FeO5 a metal, semiconductor, or insulator?
Is Mg4FeO5 thermodynamically stable?
What is the crystal structure of Mg4FeO5?
What is the density of Mg4FeO5?
How many polymorphs of Mg4FeO5 are known?
What elements does Mg4FeO5 contain?
Where does the data for Mg4FeO5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
While many members of the oxygen-evolution catalyst class, such as the metallic-conducting LaNiO3 or the layered LiCoO2, are widely utilized for their high conductivity, Mg4FeO5 stands out as an insulating oxide. Unlike the perovskite-based BiFeO3, this compound offers a different structural framework that challenges traditional design paradigms for catalysts by prioritizing stability and unique electronic properties over standard metallic behavior.
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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