Mn6O12W2
Mn6O12W2 is a semiconducting manganese tungsten oxide being researched for its potential as a catalyst for oxygen-evolution reactions.
About Mn6O12W2
Mn6O12W2 is a complex oxide featuring manganese and tungsten, positioning it as a specialized candidate within the class of oxygen-evolution catalysts. Its semiconducting electronic character makes it an intriguing subject for investigating charge-transfer processes during electrochemical water splitting.
As a near-hull stable compound, it is considered a viable target for experimental synthesis. The existence of multiple reported structures across databases underscores its structural flexibility and potential for optimization in catalytic applications where stable, earth-abundant transition metal oxides are required.
Key Properties
Cross-validated computational properties for Mn6O12W2, 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 Mn6O12W2, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 1.82 | 0.0090 | -9.147 | 6.29 |
| — | — | — | — | — | 4.52 |
| — | — | — | — | — | 5.33 |
| R-3 (No. 148) | — | — | — | — | — |
Applications
Where Mn6O12W2 is used.
Frequently Asked Questions
Common questions about Mn6O12W2, answered from cross-validated data.
What is Mn6O12W2?
Mn6O12W2 is a semiconducting manganese tungsten oxide being researched for its potential as a catalyst for oxygen-evolution reactions.
What is Mn6O12W2 used for?
What is the band gap of Mn6O12W2?
Is Mn6O12W2 a metal, semiconductor, or insulator?
Is Mn6O12W2 thermodynamically stable?
What is the crystal structure of Mn6O12W2?
What is the density of Mn6O12W2?
How many polymorphs of Mn6O12W2 are known?
What elements does Mn6O12W2 contain?
Where does the data for Mn6O12W2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the widely utilized lithium-based intercalation oxides such as LiCoO2 or LiMn2O4, Mn6O12W2 focuses on catalytic surface activity rather than ion storage. While perovskite-structured materials like LaMnO3 are common benchmarks in this class, this manganese-tungsten oxide offers a distinct structural motif that may provide unique active sites for oxygen evolution compared to simpler binary oxides like NiO.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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