Mn6O7F5
Mn6O7F5 is a metastable, semiconducting manganese oxyfluoride utilized in research for oxygen-evolution catalytic applications.
About Mn6O7F5
Mn6O7F5 is a complex manganese-based oxyfluoride that functions as a semiconducting material within the broader category of oxide oxygen-evolution catalysts. Its unique chemical composition, incorporating both oxygen and fluorine anions, positions it as a specialized candidate for catalytic research where electronic structure tuning is critical for performance.
As a metastable phase, this compound represents a fascinating subject for materials synthesis and stability studies. It is primarily investigated for its role in electrochemical processes, where its semiconducting nature is leveraged to facilitate efficient charge transfer during oxygen-evolution reactions.
Key Properties
Cross-validated computational properties for Mn6O7F5, 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 Mn6O7F5, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.00 | 0.0571 | -7.752 | 4.31 |
| P1 (No. 1) | triclinic | 0.00 | 0.0613 | -7.748 | 4.36 |
| Pm (No. 6) | monoclinic | 0.18 | 0.0614 | -7.748 | 4.33 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0618 | -7.747 | 4.42 |
| P1 (No. 1) | triclinic | 0.23 | 0.0646 | -7.745 | 4.44 |
| P1 (No. 1) | triclinic | 0.06 | 0.0676 | -7.742 | 4.39 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0708 | -7.738 | 4.40 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0713 | -7.738 | 4.38 |
| P1 (No. 1) | triclinic | 0.19 | 0.0735 | -7.736 | 4.42 |
| P1 (No. 1) | triclinic | 0.00 | 0.0766 | -7.733 | 4.39 |
| P1 (No. 1) | triclinic | 0.00 | 0.0809 | -7.728 | 4.40 |
| P1 (No. 1) | triclinic | 0.00 | 0.0812 | -7.728 | 4.42 |
Applications
Where Mn6O7F5 is used.
Frequently Asked Questions
Common questions about Mn6O7F5, answered from cross-validated data.
What is Mn6O7F5?
Mn6O7F5 is a metastable, semiconducting manganese oxyfluoride utilized in research for oxygen-evolution catalytic applications.
What is Mn6O7F5 used for?
What is the band gap of Mn6O7F5?
Is Mn6O7F5 a metal, semiconductor, or insulator?
Is Mn6O7F5 thermodynamically stable?
What is the crystal structure of Mn6O7F5?
What is the density of Mn6O7F5?
How many polymorphs of Mn6O7F5 are known?
What elements does Mn6O7F5 contain?
Where does the data for Mn6O7F5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide oxygen-evolution catalysts, Mn6O7F5 occupies a distinct niche compared to more conventional, highly stable perovskite-structured oxides like LaMnO3 or LiCoO2. While materials such as LiMn2O4 are widely recognized for their robust performance in battery applications, this oxyfluoride offers a different structural landscape that challenges traditional catalytic design paradigms by incorporating fluorine to modulate its electronic properties.
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).
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