Rb2MnO4
Rb2MnO4 is a thermodynamically stable semiconducting oxide primarily investigated for its role in oxygen-evolution catalysis.
About Rb2MnO4
Rb2MnO4 is a semiconducting oxide that sits firmly on the convex hull, indicating high thermodynamic stability. As a member of the oxide oxygen-evolution catalyst family, it represents a specialized structural arrangement of manganese and rubidium that is of significant interest for electrochemical energy conversion processes. Its electronic character makes it a candidate for studying charge transfer mechanisms at the catalyst-electrolyte interface. The compound is well-documented in structural databases, reflecting its importance in fundamental solid-state chemistry research. It serves as a platform for investigating how alkali metal incorporation influences the catalytic activity of manganese-based oxides during oxygen evolution reactions.
Key Properties
Cross-validated computational properties for Rb2MnO4, 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 Rb2MnO4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.64 | 0.0000 | -6.138 | 3.75 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.50 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.72 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.58 |
Applications
Where Rb2MnO4 is used.
Frequently Asked Questions
Common questions about Rb2MnO4, answered from cross-validated data.
What is Rb2MnO4?
Rb2MnO4 is a thermodynamically stable semiconducting oxide primarily investigated for its role in oxygen-evolution catalysis.
What is Rb2MnO4 used for?
What is the band gap of Rb2MnO4?
Is Rb2MnO4 a metal, semiconductor, or insulator?
Is Rb2MnO4 thermodynamically stable?
What is the crystal structure of Rb2MnO4?
What is the density of Rb2MnO4?
How many polymorphs of Rb2MnO4 are known?
What elements does Rb2MnO4 contain?
Where does the data for Rb2MnO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader class of oxide oxygen-evolution catalysts, Rb2MnO4 offers a distinct structural profile compared to transition-metal-rich systems like LaMnO3 or LiMn2O4. While many siblings in this class, such as NiO or LaNiO3, are primarily explored for their metallic or highly conductive properties, Rb2MnO4 provides a different electronic landscape due to its semiconducting nature and the presence of the large rubidium cation, which can significantly alter the lattice dynamics and surface reactivity compared to the more compact lithium-based oxides.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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