Co3OF5
Co3OF5 is a metastable semiconducting cobalt oxyfluoride investigated for its potential role in catalytic oxygen evolution processes.
About Co3OF5
Co3OF5 is a semiconducting oxyfluoride that functions within the broader category of oxygen-evolution catalysts. Its unique composition of cobalt, oxygen, and fluorine positions it as a subject of interest for researchers investigating non-traditional catalytic materials for energy conversion processes.
As a metastable phase, this compound represents a complex structural arrangement that challenges conventional synthesis pathways. Its electronic character suggests potential utility in electrochemical applications where specific surface reactivity is required to facilitate oxygen evolution reactions.
Key Properties
Cross-validated computational properties for Co3OF5, 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 Co3OF5, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0519 | -6.069 | 4.68 |
| P-1 (No. 2) | triclinic | 0.70 | 0.0522 | -6.069 | 4.51 |
| P-1 (No. 2) | triclinic | 0.91 | 0.0552 | -6.066 | 4.51 |
| Pmn21 (No. 31) | orthorhombic | 1.16 | 0.0557 | -6.065 | 4.51 |
| Cm (No. 8) | monoclinic | 0.75 | 0.0577 | -6.063 | 4.57 |
| Amm2 (No. 38) | orthorhombic | 1.17 | 0.0580 | -6.063 | 4.53 |
| P21 (No. 4) | monoclinic | 0.99 | 0.0594 | -6.062 | 4.47 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0625 | -6.058 | 4.57 |
| Pm (No. 6) | monoclinic | 0.00 | 0.0634 | -6.058 | 4.58 |
| P1 (No. 1) | triclinic | 0.11 | 0.0660 | -6.055 | 4.56 |
| P1 (No. 1) | triclinic | 0.09 | 0.0661 | -6.055 | 4.56 |
| C2/m (No. 12) | monoclinic | 0.06 | 0.0663 | -6.055 | 4.52 |
Applications
Where Co3OF5 is used.
Frequently Asked Questions
Common questions about Co3OF5, answered from cross-validated data.
What is Co3OF5?
Co3OF5 is a metastable semiconducting cobalt oxyfluoride investigated for its potential role in catalytic oxygen evolution processes.
What is Co3OF5 used for?
What is the band gap of Co3OF5?
Is Co3OF5 a metal, semiconductor, or insulator?
Is Co3OF5 thermodynamically stable?
What is the crystal structure of Co3OF5?
What is the density of Co3OF5?
How many polymorphs of Co3OF5 are known?
What elements does Co3OF5 contain?
Where does the data for Co3OF5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly stable and widely utilized LiCoO2, which serves as a cornerstone for battery cathode technology, Co3OF5 occupies a more specialized niche as a metastable catalyst. While materials like LaMnO3 or NiO are frequently characterized for their robust catalytic performance, Co3OF5 provides a distinct structural alternative that highlights the diversity of cobalt-based systems beyond standard oxide frameworks.
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).
- mpaloe — Data from mpaloe.
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