Mn5CoO12
Mn5CoO12 is a semiconducting, metastable mixed-metal oxide engineered to act as a catalyst for oxygen-evolution reactions.
About Mn5CoO12
Mn5CoO12 is a semiconducting oxide that functions as a specialized catalyst for the oxygen-evolution reaction. Its electronic structure and composition make it a subject of interest for researchers seeking to optimize electrochemical water-splitting processes. As a metastable material, it represents a unique phase within the broader family of transition metal oxides. Its ability to facilitate complex redox reactions is tied to its specific atomic arrangement, which provides a distinct pathway for oxygen evolution compared to more conventional, stable oxide structures.
Key Properties
Cross-validated computational properties for Mn5CoO12, 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 Mn5CoO12, 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 | 1.40 | 0.0350 | -7.902 | 4.13 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.13 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.32 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Mn5CoO12 is used.
Frequently Asked Questions
Common questions about Mn5CoO12, answered from cross-validated data.
What is Mn5CoO12?
Mn5CoO12 is a semiconducting, metastable mixed-metal oxide engineered to act as a catalyst for oxygen-evolution reactions.
What is Mn5CoO12 used for?
What is the band gap of Mn5CoO12?
Is Mn5CoO12 a metal, semiconductor, or insulator?
Is Mn5CoO12 thermodynamically stable?
What is the crystal structure of Mn5CoO12?
What is the density of Mn5CoO12?
How many polymorphs of Mn5CoO12 are known?
What elements does Mn5CoO12 contain?
Where does the data for Mn5CoO12 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, Mn5CoO12 occupies a niche position due to its metastable nature, contrasting with the highly stable and widely utilized LiCoO2 or LiMn2O4. While materials like LaMnO3 and NiO are frequently studied for their robust bulk properties, Mn5CoO12 offers a different structural landscape that may provide unique active sites for catalytic surface interactions.
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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