RbCoO2
RbCoO2 is a metastable semiconducting oxide utilized in research focused on oxygen-evolution catalysis.
About RbCoO2
RbCoO2 is a semiconducting oxide that functions as a candidate material for oxygen-evolution catalysis. Its electronic structure and metastable nature make it a subject of interest for researchers seeking to tune catalytic activity through chemical substitution and structural engineering.
As a member of the broader class of transition metal oxides, this compound provides a distinct chemical environment compared to more conventional lithium-based counterparts. Its role in catalytic processes is defined by its ability to facilitate surface reactions while maintaining structural integrity under specific conditions.
Key Properties
Cross-validated computational properties for RbCoO2, 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 RbCoO2. 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 RbCoO2, 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. |
|---|---|---|---|---|---|
| — | — | 0.27 | 0.0694 | -1.308 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0767 | -1.236 | — |
| Pbca (No. 61) | orthorhombic | 0.00 | 0.0931 | -5.824 | 4.20 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.1083 | -5.809 | 3.82 |
| — | — | 1.19 | 0.2015 | -1.176 | — |
| — | — | 1.19 | 0.2040 | -1.173 | — |
| Fd-3m (No. 227) | cubic | — | — | — | 4.01 |
| Fd-3m (No. 227) | cubic | — | — | — | 3.82 |
| Fd-3m (No. 227) | cubic | — | — | — | 3.97 |
Applications
Where RbCoO2 is used.
Frequently Asked Questions
Common questions about RbCoO2, answered from cross-validated data.
What is RbCoO2?
RbCoO2 is a metastable semiconducting oxide utilized in research focused on oxygen-evolution catalysis.
What is RbCoO2 used for?
What is the band gap of RbCoO2?
Is RbCoO2 a metal, semiconductor, or insulator?
Is RbCoO2 thermodynamically stable?
What is the crystal structure of RbCoO2?
What is the density of RbCoO2?
How many polymorphs of RbCoO2 are known?
What elements does RbCoO2 contain?
Where does the data for RbCoO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse group of oxygen-evolution catalysts, RbCoO2 occupies a specialized niche compared to well-established materials like LiCoO2. While LiCoO2 is a cornerstone of battery technology, RbCoO2 offers a different structural framework due to the larger rubidium cation, which influences the cobalt-oxygen coordination environment and potential catalytic pathways relative to other complex oxides like LaMnO3 or BiFeO3.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze RbCoO2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →