Rb3MnO3
Rb3MnO3 is a thermodynamically stable semiconducting oxide being researched for its potential as a catalyst in oxygen-evolution reactions.
About Rb3MnO3
Rb3MnO3 is a semiconducting ternary oxide that occupies a stable position on the thermodynamic convex hull. Its unique electronic structure makes it a subject of interest for researchers investigating efficient oxygen-evolution catalysts for energy conversion technologies. The material is characterized by a well-defined structural framework that supports its stability under various conditions.
As a member of the oxide oxygen-evolution catalyst class, this compound is primarily evaluated for its potential in electrochemical water splitting. Its stability and semiconducting nature provide a distinct platform for tuning surface reactivity, which is essential for developing high-performance catalysts that can replace more expensive or less durable alternatives in industrial electrolytic processes.
Key Properties
Cross-validated computational properties for Rb3MnO3, 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 Rb3MnO3, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.35 | 0.0000 | -5.505 | 4.19 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.96 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.20 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.11 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Rb3MnO3 is used.
Frequently Asked Questions
Common questions about Rb3MnO3, answered from cross-validated data.
What is Rb3MnO3?
Rb3MnO3 is a thermodynamically stable semiconducting oxide being researched for its potential as a catalyst in oxygen-evolution reactions.
What is Rb3MnO3 used for?
What is the band gap of Rb3MnO3?
Is Rb3MnO3 a metal, semiconductor, or insulator?
Is Rb3MnO3 thermodynamically stable?
What is the crystal structure of Rb3MnO3?
What is the density of Rb3MnO3?
How many polymorphs of Rb3MnO3 are known?
What elements does Rb3MnO3 contain?
Where does the data for Rb3MnO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Compared to widely utilized transition metal oxides like LiMn2O4 or LaMnO3, Rb3MnO3 represents a more specialized structural archetype within the oxygen-evolution catalyst family. While many siblings in this class rely on complex perovskite or spinel frameworks, this rubidium-based oxide offers a different coordination environment for manganese, potentially providing unique catalytic pathways that differ from the more conventional binary or layered oxide systems.
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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