Cs6Fe2O5
Cs6Fe2O5 is a stable, semiconducting oxide material primarily investigated for its catalytic activity in oxygen-evolution reactions.
About Cs6Fe2O5
Cs6Fe2O5 is a semiconducting oxide that occupies a stable position on the thermodynamic convex hull. Its unique composition of cesium, iron, and oxygen makes it a specialized subject for researchers investigating advanced catalytic materials for electrochemical processes.
As part of the broader family of oxide oxygen-evolution catalysts, this compound is studied for its potential role in energy conversion technologies. Its electronic properties and structural stability provide a robust foundation for exploring efficient pathways in oxygen-evolution reactions.
Key Properties
Cross-validated computational properties for Cs6Fe2O5, 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 Cs6Fe2O5, 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 | 0.00 | 0.0000 | -5.028 | 4.66 |
| Cm (No. 8) | monoclinic | 0.23 | 0.0050 | -5.023 | 4.87 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.65 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.92 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.83 |
| C2/m (No. 12) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Cs6Fe2O5 is used.
Frequently Asked Questions
Common questions about Cs6Fe2O5, answered from cross-validated data.
What is Cs6Fe2O5?
Cs6Fe2O5 is a stable, semiconducting oxide material primarily investigated for its catalytic activity in oxygen-evolution reactions.
What is Cs6Fe2O5 used for?
What is the band gap of Cs6Fe2O5?
Is Cs6Fe2O5 a metal, semiconductor, or insulator?
Is Cs6Fe2O5 thermodynamically stable?
What is the crystal structure of Cs6Fe2O5?
What is the density of Cs6Fe2O5?
How many polymorphs of Cs6Fe2O5 are known?
What elements does Cs6Fe2O5 contain?
Where does the data for Cs6Fe2O5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the more common transition metal oxides such as NiO or the layered lithium-based cathodes like LiCoO2 and LiNiO2, Cs6Fe2O5 features a significantly higher alkali metal content. While materials like BiFeO3 or LaMnO3 are frequently utilized for their perovskite-related frameworks, Cs6Fe2O5 represents a distinct structural class that prioritizes different coordination environments for the iron centers, setting it apart from standard perovskite-based catalysts.
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.
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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