Co6O7F5
Co6O7F5 is a semiconducting cobalt oxyfluoride material studied for its potential role in electrochemical oxygen-evolution catalysis.
About Co6O7F5
Co6O7F5 is a complex cobalt-based oxyfluoride categorized within the broader family of oxide oxygen-evolution catalysts. As a semiconducting material, it represents a specialized chemical architecture where the inclusion of fluorine into the oxide lattice modifies the electronic environment, potentially influencing catalytic activity for water splitting and other electrochemical processes.
While this compound is currently classified as thermodynamically metastable, its structural complexity makes it an intriguing subject for materials research. Its unique composition of cobalt, oxygen, and fluorine suggests a distinct coordination environment that researchers explore to better understand how anionic substitution impacts the performance of oxygen-evolution catalysts.
Key Properties
Cross-validated computational properties for Co6O7F5, 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 Co6O7F5, 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 | 0.1052 | -6.330 | 4.85 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.1061 | -6.329 | 5.00 |
| P1 (No. 1) | triclinic | 0.00 | 0.1097 | -6.325 | 4.98 |
| Pm (No. 6) | monoclinic | 0.00 | 0.1122 | -6.323 | 5.05 |
| C2 (No. 5) | monoclinic | 0.00 | 0.1212 | -6.314 | 4.87 |
| P1 (No. 1) | triclinic | 0.27 | 0.1275 | -6.307 | 4.97 |
| C2 (No. 5) | monoclinic | 0.00 | 0.1438 | -6.291 | 5.24 |
| C2 (No. 5) | — | — | — | — | — |
| C2 (No. 5) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| C2 (No. 5) | — | — | — | — | — |
Applications
Where Co6O7F5 is used.
Frequently Asked Questions
Common questions about Co6O7F5, answered from cross-validated data.
What is Co6O7F5?
Co6O7F5 is a semiconducting cobalt oxyfluoride material studied for its potential role in electrochemical oxygen-evolution catalysis.
What is Co6O7F5 used for?
What is the band gap of Co6O7F5?
Is Co6O7F5 a metal, semiconductor, or insulator?
Is Co6O7F5 thermodynamically stable?
What is the crystal structure of Co6O7F5?
What is the density of Co6O7F5?
How many polymorphs of Co6O7F5 are known?
What elements does Co6O7F5 contain?
Where does the data for Co6O7F5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the more conventional and highly stable transition metal oxides such as NiO or LiCoO2, Co6O7F5 occupies a more exotic space in the catalyst landscape due to its oxyfluoride nature. While materials like LaMnO3 or LiMn2O4 are widely recognized for their robust performance in electrochemical applications, Co6O7F5 serves as a structural outlier that challenges standard design principles for oxygen-evolution catalysts.
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).
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