Mn2O7Ta2
Mn2O7Ta2 is a metastable, semiconducting manganese tantalum oxide used in the study of oxygen-evolution catalysis.
About Mn2O7Ta2
Mn2O7Ta2 is a complex oxide featuring manganese and tantalum, categorized within the broader family of oxygen-evolution catalysts. As a semiconducting material, it offers unique electronic properties that are critical for facilitating efficient charge transfer during electrochemical reactions.
Despite its metastable nature, this compound is of significant interest for its potential role in catalytic processes. Its structural diversity, evidenced by multiple reported configurations, highlights its flexibility as a candidate for specialized catalytic surface engineering.
Key Properties
Cross-validated computational properties for Mn2O7Ta2, 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 Mn2O7Ta2, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 2.16 | 0.0791 | -9.801 | 6.96 |
| — | — | — | — | — | 5.73 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| — | — | — | — | — | 5.42 |
| — | — | — | — | — | 8.47 |
| — | — | — | — | — | 5.33 |
| — | — | — | — | — | 4.79 |
Applications
Where Mn2O7Ta2 is used.
Frequently Asked Questions
Common questions about Mn2O7Ta2, answered from cross-validated data.
What is Mn2O7Ta2?
Mn2O7Ta2 is a metastable, semiconducting manganese tantalum oxide used in the study of oxygen-evolution catalysis.
What is Mn2O7Ta2 used for?
What is the band gap of Mn2O7Ta2?
Is Mn2O7Ta2 a metal, semiconductor, or insulator?
Is Mn2O7Ta2 thermodynamically stable?
What is the crystal structure of Mn2O7Ta2?
What is the density of Mn2O7Ta2?
How many polymorphs of Mn2O7Ta2 are known?
What elements does Mn2O7Ta2 contain?
Where does the data for Mn2O7Ta2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, Mn2O7Ta2 occupies a distinct niche compared to more conventional transition metal oxides like LiMn2O4 or LaMnO3. While many of its siblings are well-established, highly stable perovskites or spinel-structured materials, Mn2O7Ta2 represents a more specialized, metastable alternative that provides researchers with a different electronic landscape for exploring catalytic activity.
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).
- alexandria — Data from alexandria.
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