Rb4Fe2O5

Rb4Fe2O5 is a semiconducting rubidium iron oxide being explored as a potential catalyst for oxygen-evolution reactions in electrochemical applications.

Crystal structure of Rb4Fe2O5 (monoclinic, C2/c (No. 15))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for Rb4Fe2O5, aggregated across 3 databases.

Band Gap

0.20 eV
Range across DFT structures

Energy Above Hull

0.014 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Rb4Fe2O5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/c (No. 15)monoclinic0.200.0140-5.7864.02
C2/c (No. 15)Monoclinic3.81
C2/c (No. 15)Monoclinic4.02
C2/c (No. 15)Monoclinic3.94
C2/c (No. 15)
Uses

Applications

Where Rb4Fe2O5 is used.

Oxygen-evolution catalysisElectrochemical water splittingEnergy conversion research
Reference

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.

More questions
What is Rb4Fe2O5 used for?
Rb4Fe2O5 is used in oxygen-evolution catalysis, electrochemical water splitting, and energy conversion research.
What is the band gap of Rb4Fe2O5?
Rb4Fe2O5 has a DFT-computed band gap of 0.20 eV across 5 reported structures.
Is Rb4Fe2O5 a metal, semiconductor, or insulator?
With a band gap up to 0.20 eV it is a semiconductor.
Is Rb4Fe2O5 thermodynamically stable?
Rb4Fe2O5 has a lowest energy above hull of 0.014 eV/atom (near hull (likely stable)).
What is the crystal structure of Rb4Fe2O5?
The lowest-energy reported polymorph of Rb4Fe2O5 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Rb4Fe2O5?
The computed density of the ground-state structure of Rb4Fe2O5 is 4.02 g/cm³.
How many polymorphs of Rb4Fe2O5 are known?
5 structures of Rb4Fe2O5 are reported across 3 databases, spanning 1 distinct space group.
What elements does Rb4Fe2O5 contain?
Rb4Fe2O5 contains Fe, O, and Rb (3 elements).
Where does the data for Rb4Fe2O5 come from?
Rb4Fe2O5 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

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.

Explore

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.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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