Mn2ZnO4
Mn2ZnO4 is a stable, semiconducting oxide material utilized primarily in the study and development of oxygen-evolution catalysts for energy applications.
About Mn2ZnO4
Mn2ZnO4 is a semiconducting oxide that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. As a member of the oxide oxygen-evolution catalyst family, it is recognized for its structural versatility, supported by a wealth of reported crystallographic data across various databases. Its electronic properties make it a subject of interest for researchers seeking to optimize charge transfer in electrochemical systems.
This material plays a vital role in the development of efficient catalysts for splitting water and other energy-conversion processes. By leveraging its stable oxide framework, scientists explore its potential to facilitate the oxygen-evolution reaction, which is a critical bottleneck in sustainable energy technologies. Its ability to maintain structural integrity under catalytic conditions positions it as a promising candidate for advanced energy storage and conversion applications.
Key Properties
Cross-validated computational properties for Mn2ZnO4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Mn2ZnO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Mn2ZnO4, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 0.92 | 0.0000 | -7.607 | 5.25 |
| — | — | 0.92 | 0.0000 | -1.938 | — |
| I41/amd (No. 141) | tetragonal | 0.13 | 0.0000 | -1.728 | — |
| I41/amd (No. 141) | tetragonal | 0.12 | 0.0000 | -1.728 | — |
| I41/a (No. 88) | tetragonal | 0.06 | 0.0072 | -1.721 | — |
| R3m (No. 160) | trigonal | 0.00 | 0.0115 | -1.717 | — |
| I41/a (No. 88) | tetragonal | 0.68 | 0.0201 | -7.587 | 5.03 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0296 | -1.698 | — |
| Cm (No. 8) | monoclinic | 0.00 | 0.0311 | -7.576 | 4.98 |
| C2/m (No. 12) | monoclinic | 0.20 | 0.0369 | -7.571 | 5.11 |
| P1 (No. 1) | triclinic | 0.00 | 0.0482 | -7.559 | 4.98 |
| — | — | 0.00 | 0.0636 | -1.874 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Mn2ZnO4.
Applications
Where Mn2ZnO4 is used.
Frequently Asked Questions
Common questions about Mn2ZnO4, answered from cross-validated data.
What is Mn2ZnO4?
Mn2ZnO4 is a stable, semiconducting oxide material utilized primarily in the study and development of oxygen-evolution catalysts for energy applications.
What is Mn2ZnO4 used for?
What is the band gap of Mn2ZnO4?
Is Mn2ZnO4 a metal, semiconductor, or insulator?
Is Mn2ZnO4 thermodynamically stable?
What is the crystal structure of Mn2ZnO4?
What is the density of Mn2ZnO4?
How many polymorphs of Mn2ZnO4 are known?
How is Mn2ZnO4 synthesized?
What elements does Mn2ZnO4 contain?
Where does the data for Mn2ZnO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxide oxygen-evolution catalysts, Mn2ZnO4 stands out for its stability compared to more complex layered oxides like LiCoO2 or LiNiO2. While materials such as LaMnO3 and LiMn2O4 are frequently studied for their specific magnetic and electrochemical properties, Mn2ZnO4 provides a distinct structural alternative that contributes to the broader understanding of spinel-type oxide performance in catalytic environments.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
Analyze Mn2ZnO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →