Mn11ZnO16
Mn11ZnO16 is a semiconducting manganese-zinc oxide designed for use in oxygen-evolution catalytic applications.
About Mn11ZnO16
Mn11ZnO16 is a complex semiconducting oxide that functions as a catalyst for the oxygen-evolution reaction. Its structural composition, involving manganese and zinc, positions it as a subject of interest for electrochemical energy conversion processes where stable, active surfaces are required for efficient gas production.
Due to its near-hull thermodynamic stability, this compound is considered a viable candidate for experimental synthesis. Its existence across multiple structural databases highlights its significance as a target for researchers exploring non-precious metal oxides for sustainable energy technologies.
Key Properties
Cross-validated computational properties for Mn11ZnO16, 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 Mn11ZnO16, 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. |
|---|---|---|---|---|---|
| C222 (No. 21) | orthorhombic | 0.66 | 0.0084 | -8.497 | 4.92 |
| C222 (No. 21) | Orthorhombic | — | — | — | 4.65 |
| C222 (No. 21) | Orthorhombic | — | — | — | 5.13 |
| C222 (No. 21) | Orthorhombic | — | — | — | 4.89 |
| P-4m2 (No. 115) | — | — | — | — | — |
Applications
Where Mn11ZnO16 is used.
Frequently Asked Questions
Common questions about Mn11ZnO16, answered from cross-validated data.
What is Mn11ZnO16?
Mn11ZnO16 is a semiconducting manganese-zinc oxide designed for use in oxygen-evolution catalytic applications.
What is Mn11ZnO16 used for?
What is the band gap of Mn11ZnO16?
Is Mn11ZnO16 a metal, semiconductor, or insulator?
Is Mn11ZnO16 thermodynamically stable?
What is the crystal structure of Mn11ZnO16?
What is the density of Mn11ZnO16?
How many polymorphs of Mn11ZnO16 are known?
What elements does Mn11ZnO16 contain?
Where does the data for Mn11ZnO16 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxide oxygen-evolution catalysts, Mn11ZnO16 represents a more complex, multi-metal alternative to simpler binary oxides like NiO. While materials such as LiMn2O4 and LaMnO3 are well-established benchmarks in the field, this manganese-rich zinc oxide offers a distinct stoichiometry that may provide unique catalytic pathways compared to the more common perovskite or spinel-based structures.
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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