Cs2Fe2O4
Cs2Fe2O4 is a thermodynamically stable semiconducting oxide investigated for its potential as a catalyst in oxygen-evolution reactions.
About Cs2Fe2O4
Cs2Fe2O4 is a semiconducting oxide that sits on the thermodynamic convex hull, indicating high structural stability. As a member of the oxygen-evolution catalyst family, it is a subject of interest for researchers aiming to improve the efficiency of electrochemical water splitting processes.
Its unique electronic character and structural arrangement make it a candidate for advanced catalytic applications. By facilitating the oxygen evolution reaction, this compound contributes to the ongoing development of sustainable energy storage and conversion technologies.
Key Properties
Cross-validated computational properties for Cs2Fe2O4, 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 Cs2Fe2O4, 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 | 1.98 | 0.0000 | -6.550 | 4.61 |
| Pbca (No. 61) | orthorhombic | 1.98 | 0.0487 | -6.501 | 4.66 |
| — | — | — | — | — | 4.71 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| — | — | — | — | — | 3.88 |
Applications
Where Cs2Fe2O4 is used.
Frequently Asked Questions
Common questions about Cs2Fe2O4, answered from cross-validated data.
What is Cs2Fe2O4?
Cs2Fe2O4 is a thermodynamically stable semiconducting oxide investigated for its potential as a catalyst in oxygen-evolution reactions.
What is Cs2Fe2O4 used for?
What is the band gap of Cs2Fe2O4?
Is Cs2Fe2O4 a metal, semiconductor, or insulator?
Is Cs2Fe2O4 thermodynamically stable?
What is the crystal structure of Cs2Fe2O4?
What is the density of Cs2Fe2O4?
How many polymorphs of Cs2Fe2O4 are known?
What elements does Cs2Fe2O4 contain?
Where does the data for Cs2Fe2O4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the widely utilized lithium-based transition metal oxides such as LiCoO2 or LiMn2O4, Cs2Fe2O4 incorporates heavier cesium cations, which significantly alters its structural framework and catalytic behavior compared to more conventional perovskite-like catalysts such as 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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