F17Mn12O7
F17Mn12O7 is a semiconducting manganese oxyfluoride material researched for its potential as a catalyst in oxygen-evolution electrochemical reactions.
About F17Mn12O7
F17Mn12O7 is a complex manganese-based oxyfluoride classified within the broader category of oxide oxygen-evolution catalysts. As a semiconducting material, it offers unique electronic properties that are essential for facilitating efficient charge transfer during electrochemical processes. Its metastable nature makes it a subject of significant interest for researchers aiming to tune catalytic performance through structural control.
This compound is primarily studied for its potential role in energy conversion technologies where oxygen evolution is a critical bottleneck. By leveraging its specific electronic configuration, scientists aim to develop more active and durable catalysts for water splitting and other renewable energy applications, positioning it as a specialized candidate in the search for high-performance catalytic materials.
Key Properties
Cross-validated computational properties for F17Mn12O7, aggregated across 2 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 F17Mn12O7, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.28 | 0.0558 | -7.497 | 4.09 |
| P1 (No. 1) | triclinic | 0.24 | 0.0665 | -7.487 | 4.12 |
| P1 (No. 1) | triclinic | 0.00 | 0.0673 | -7.486 | 4.12 |
| P1 (No. 1) | triclinic | 0.21 | 0.0682 | -7.485 | 4.13 |
| P1 (No. 1) | triclinic | 0.09 | 0.0714 | -7.482 | 4.16 |
| P1 (No. 1) | triclinic | 0.12 | 0.0714 | -7.482 | 4.14 |
| P1 (No. 1) | triclinic | 0.14 | 0.0716 | -7.481 | 4.11 |
| P1 (No. 1) | triclinic | 0.09 | 0.0717 | -7.481 | 4.10 |
| P1 (No. 1) | triclinic | 0.10 | 0.0745 | -7.479 | 4.10 |
| P1 (No. 1) | triclinic | 0.20 | 0.0759 | -7.477 | 4.14 |
| P1 (No. 1) | triclinic | 0.24 | 0.0760 | -7.477 | 4.16 |
| P1 (No. 1) | triclinic | 0.30 | 0.0778 | -7.475 | 4.16 |
Applications
Where F17Mn12O7 is used.
Frequently Asked Questions
Common questions about F17Mn12O7, answered from cross-validated data.
What is F17Mn12O7?
F17Mn12O7 is a semiconducting manganese oxyfluoride material researched for its potential as a catalyst in oxygen-evolution electrochemical reactions.
What is F17Mn12O7 used for?
What is the band gap of F17Mn12O7?
Is F17Mn12O7 a metal, semiconductor, or insulator?
Is F17Mn12O7 thermodynamically stable?
What is the crystal structure of F17Mn12O7?
What is the density of F17Mn12O7?
How many polymorphs of F17Mn12O7 are known?
What elements does F17Mn12O7 contain?
Where does the data for F17Mn12O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide oxygen-evolution catalysts, F17Mn12O7 occupies a distinct niche compared to more conventional, highly stable perovskite-structured oxides like LaMnO3 or LiCoO2. While materials such as NiO and LiMn2O4 are widely utilized for their robust performance and well-understood reaction mechanisms, F17Mn12O7 represents a more exotic, metastable composition that challenges standard design paradigms by incorporating fluorine to modify its catalytic surface 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).
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