Mn4ZnO8
Mn4ZnO8 is a metastable, semimetallic oxide material primarily investigated for its potential as a catalyst in oxygen-evolution reactions.
About Mn4ZnO8
Mn4ZnO8 is a complex oxide belonging to the class of oxygen-evolution catalysts. Characterized by a near-zero-gap electronic structure, this material exhibits semimetallic behavior that is critical for facilitating efficient charge transfer during electrochemical reactions.
As a metastable phase, it represents a unique structural arrangement within the manganese-zinc-oxygen system. Its ability to participate in catalytic processes makes it a subject of interest for researchers seeking to optimize energy conversion technologies and sustainable chemical synthesis.
Key Properties
Cross-validated computational properties for Mn4ZnO8, 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 Mn4ZnO8, 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-3m (No. 166) | trigonal | 0.04 | 0.0890 | -7.780 | 4.41 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1299 | -7.740 | 4.46 |
| P1 (No. 1) | triclinic | 0.00 | 0.1299 | -7.740 | 4.47 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.41 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.88 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.63 |
| R-3m (No. 166) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where Mn4ZnO8 is used.
Frequently Asked Questions
Common questions about Mn4ZnO8, answered from cross-validated data.
What is Mn4ZnO8?
Mn4ZnO8 is a metastable, semimetallic oxide material primarily investigated for its potential as a catalyst in oxygen-evolution reactions.
What is Mn4ZnO8 used for?
What is the band gap of Mn4ZnO8?
Is Mn4ZnO8 a metal, semiconductor, or insulator?
Is Mn4ZnO8 thermodynamically stable?
What is the crystal structure of Mn4ZnO8?
What is the density of Mn4ZnO8?
How many polymorphs of Mn4ZnO8 are known?
What elements does Mn4ZnO8 contain?
Where does the data for Mn4ZnO8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxygen-evolution catalysts, Mn4ZnO8 occupies a distinct niche compared to more conventional, highly stable oxides like NiO or the layered lithium-based transition metal oxides such as LiCoO2 and LiMn2O4. While many of its class members rely on well-defined perovskite or spinel frameworks, this compound's metastable nature and semimetallic character offer a different pathway for surface reactivity compared to the insulating or semiconducting behaviors typically observed in counterparts like BiFeO3.
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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