Mn2CoO6
Mn2CoO6 is a metastable, semiconducting oxide material primarily studied for its potential as an oxygen-evolution catalyst in electrochemical applications.
About Mn2CoO6
Mn2CoO6 is a complex oxide belonging to the class of oxygen-evolution catalysts. As a semiconducting material, it offers unique electronic properties that are critical for facilitating electrochemical reactions in energy conversion systems.
Although it is a metastable compound, its existence across multiple structural configurations makes it a subject of significant interest in materials science. It serves as a specialized candidate for researchers seeking to optimize catalytic efficiency in demanding electrochemical environments.
Key Properties
Cross-validated computational properties for Mn2CoO6, 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 Mn2CoO6, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.33 | 0.0326 | -7.667 | 4.20 |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.1435 | -7.556 | 4.23 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.20 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.72 |
| C2/m (No. 12) | — | — | — | — | — |
| Cmce (No. 64) | Orthorhombic | — | — | — | 5.01 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.40 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.23 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.56 |
Applications
Where Mn2CoO6 is used.
Frequently Asked Questions
Common questions about Mn2CoO6, answered from cross-validated data.
What is Mn2CoO6?
Mn2CoO6 is a metastable, semiconducting oxide material primarily studied for its potential as an oxygen-evolution catalyst in electrochemical applications.
What is Mn2CoO6 used for?
What is the band gap of Mn2CoO6?
Is Mn2CoO6 a metal, semiconductor, or insulator?
Is Mn2CoO6 thermodynamically stable?
What is the crystal structure of Mn2CoO6?
What is the density of Mn2CoO6?
How many polymorphs of Mn2CoO6 are known?
What elements does Mn2CoO6 contain?
Where does the data for Mn2CoO6 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide catalysts, Mn2CoO6 occupies a distinct niche compared to more common, highly stable materials like LiCoO2 or LiMn2O4. While many of its siblings are widely utilized in commercial battery technologies, this compound is primarily investigated for its specific catalytic activity, positioning it alongside complex perovskite-related structures like LaMnO3 in the search for high-performance oxygen-evolution materials.
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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