Fe4K12O8
Fe4K12O8 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis for electrochemical energy systems.
About Fe4K12O8
Fe4K12O8 is a semiconducting oxide that functions within the specialized class of oxygen-evolution catalysts. As a metastable phase, it represents a unique structural arrangement of iron, potassium, and oxygen atoms that offers distinct pathways for surface-mediated electrochemical reactions.
This compound is of significant interest to researchers focused on developing efficient catalysts for water splitting and energy conversion technologies. Its electronic properties and structural configuration make it a subject of ongoing study for optimizing charge transfer during the oxygen evolution process.
Key Properties
Cross-validated computational properties for Fe4K12O8, 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 Fe4K12O8, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 0.00 | 0.0599 | -6.025 | 3.39 |
| P41212 (No. 92) | tetragonal | 1.16 | 0.0739 | -4.842 | 2.43 |
| P-4m2 (No. 115) | tetragonal | 0.08 | 0.1218 | -6.681 | 2.76 |
| — | — | — | — | — | 2.42 |
| P41212 (No. 92) | — | — | — | — | — |
| — | — | — | — | — | 2.42 |
Applications
Where Fe4K12O8 is used.
Frequently Asked Questions
Common questions about Fe4K12O8, answered from cross-validated data.
What is Fe4K12O8?
Fe4K12O8 is a metastable semiconducting oxide utilized in the study of oxygen-evolution catalysis for electrochemical energy systems.
What is Fe4K12O8 used for?
What is the band gap of Fe4K12O8?
Is Fe4K12O8 a metal, semiconductor, or insulator?
Is Fe4K12O8 thermodynamically stable?
What is the crystal structure of Fe4K12O8?
What is the density of Fe4K12O8?
How many polymorphs of Fe4K12O8 are known?
What elements does Fe4K12O8 contain?
Where does the data for Fe4K12O8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike more conventional and thermodynamically stable oxides such as NiO or LiCoO2, Fe4K12O8 exists as a metastable phase, which provides a different landscape for catalytic activity compared to the highly robust transition metal oxides like LaMnO3 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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