K4Fe2O5
K4Fe2O5 is a stable, semiconducting iron-based oxide that functions as a catalyst for oxygen-evolution reactions.
About K4Fe2O5
K4Fe2O5 is a semiconducting oxide that holds a significant position within the family of oxygen-evolution catalysts. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration that has drawn interest for its potential in electrochemical energy conversion processes. Its electronic properties make it a subject of study for researchers seeking to optimize catalytic efficiency in water-splitting applications. The material has been characterized through multiple structural reports, highlighting its established presence in materials databases. By providing a stable framework for iron-based oxygen evolution, it serves as a valuable candidate for exploring new pathways in sustainable energy generation and chemical synthesis.
Key Properties
Cross-validated computational properties for K4Fe2O5, 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 K4Fe2O5, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.73 | 0.0000 | -5.882 | 3.14 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.14 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.98 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.08 |
Applications
Where K4Fe2O5 is used.
Frequently Asked Questions
Common questions about K4Fe2O5, answered from cross-validated data.
What is K4Fe2O5?
K4Fe2O5 is a stable, semiconducting iron-based oxide that functions as a catalyst for oxygen-evolution reactions.
What is K4Fe2O5 used for?
What is the band gap of K4Fe2O5?
Is K4Fe2O5 a metal, semiconductor, or insulator?
Is K4Fe2O5 thermodynamically stable?
What is the crystal structure of K4Fe2O5?
What is the density of K4Fe2O5?
How many polymorphs of K4Fe2O5 are known?
What elements does K4Fe2O5 contain?
Where does the data for K4Fe2O5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the well-known transition metal oxides such as LiCoO2 or NiO, which are frequently utilized in commercial battery cathodes, K4Fe2O5 occupies a more specialized niche within the oxygen-evolution catalyst class. While materials like LaMnO3 and BiFeO3 are widely studied for their complex magnetic and multiferroic behaviors, K4Fe2O5 is distinguished by its specific stoichiometry and its thermodynamic stability, which differentiates it from the more common lithium-based intercalation oxides like LiMn2O4.
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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