Rb4Fe2O5
Rb4Fe2O5 is a semiconducting rubidium iron oxide being explored as a potential catalyst for oxygen-evolution reactions in electrochemical applications.
About Rb4Fe2O5
Rb4Fe2O5 is a complex oxide containing rubidium and iron, characterized by its semiconducting electronic structure. Its position as a near-hull stable compound suggests it is a viable candidate for experimental synthesis and further electrochemical characterization. As a member of the oxide oxygen-evolution catalyst class, it represents an interesting structural departure from more traditional transition metal oxides. Its potential utility lies in its ability to facilitate oxygen-evolution reactions, a critical process for clean energy technologies like water splitting. By leveraging its specific electronic properties, researchers aim to optimize catalytic performance in electrochemical systems.
Key Properties
Cross-validated computational properties for Rb4Fe2O5, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Rb4Fe2O5. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Rb4Fe2O5, 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. |
|---|---|---|---|---|---|
| — | — | 1.63 | 0.0000 | -1.625 | — |
| C2/c (No. 15) | monoclinic | 0.20 | 0.0140 | -5.786 | 4.02 |
| — | — | 1.99 | 0.0272 | -1.597 | — |
| C2/c (No. 15) | monoclinic | 0.08 | 0.0283 | -1.521 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 3.81 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.94 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.02 |
Applications
Where Rb4Fe2O5 is used.
Frequently Asked Questions
Common questions about Rb4Fe2O5, answered from cross-validated data.
What is Rb4Fe2O5?
Rb4Fe2O5 is a semiconducting rubidium iron oxide being explored as a potential catalyst for oxygen-evolution reactions in electrochemical applications.
What is Rb4Fe2O5 used for?
What is the band gap of Rb4Fe2O5?
Is Rb4Fe2O5 a metal, semiconductor, or insulator?
Is Rb4Fe2O5 thermodynamically stable?
What is the crystal structure of Rb4Fe2O5?
What is the density of Rb4Fe2O5?
How many polymorphs of Rb4Fe2O5 are known?
What elements does Rb4Fe2O5 contain?
Where does the data for Rb4Fe2O5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the widely utilized, highly stable spinel and layered structures such as LiCoO2 or LiMn2O4, Rb4Fe2O5 features a more complex stoichiometry that distinguishes it from standard perovskite-related catalysts like LaMnO3 or LaNiO3. While materials like BiFeO3 are well-documented for their multiferroic and catalytic properties, Rb4Fe2O5 occupies a unique niche as a potential catalyst with a distinct structural framework that may offer alternative pathways for oxygen-evolution activity compared to simpler binary oxides like NiO.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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