Mn3Zn2O8
Mn3Zn2O8 is a stable, semiconducting oxide material utilized for its potential applications in oxygen-evolution catalysis.
About Mn3Zn2O8
Mn3Zn2O8 is a semiconducting oxide that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a member of the oxygen-evolution catalyst class, it leverages its specific electronic configuration to facilitate complex electrochemical processes. The compound is characterized by significant structural diversity, supported by multiple reported entries across major materials databases. Its stability and semiconducting nature make it a compelling subject for researchers investigating efficient water-splitting technologies. By providing a robust framework for catalytic activity, this material contributes to the ongoing search for durable, high-performance electrodes in sustainable energy systems.
Key Properties
Cross-validated computational properties for Mn3Zn2O8, 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 Mn3Zn2O8, 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 | 1.23 | 0.0000 | -7.177 | 5.31 |
| P63mc (No. 186) | hexagonal | 0.87 | 0.0048 | -7.172 | 5.33 |
| P63mc (No. 186) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.04 |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.59 |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.28 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.04 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.58 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.28 |
Applications
Where Mn3Zn2O8 is used.
Frequently Asked Questions
Common questions about Mn3Zn2O8, answered from cross-validated data.
What is Mn3Zn2O8?
Mn3Zn2O8 is a stable, semiconducting oxide material utilized for its potential applications in oxygen-evolution catalysis.
What is Mn3Zn2O8 used for?
What is the band gap of Mn3Zn2O8?
Is Mn3Zn2O8 a metal, semiconductor, or insulator?
Is Mn3Zn2O8 thermodynamically stable?
What is the crystal structure of Mn3Zn2O8?
What is the density of Mn3Zn2O8?
How many polymorphs of Mn3Zn2O8 are known?
What elements does Mn3Zn2O8 contain?
Where does the data for Mn3Zn2O8 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, Mn3Zn2O8 functions primarily as a catalytic oxide rather than a battery cathode material. While it shares the oxide framework common to transition metal catalysts like LaMnO3 and NiO, its unique stoichiometry allows for distinct electronic properties that differentiate its catalytic performance from these more traditional perovskite or simple binary oxide counterparts.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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