Co2OF3
This compound is a cobalt oxyfluoride material characterized by its specific arrangement of metal, oxygen, and fluorine atoms. It is primarily studied in the context of advanced materials research for its potential electrochemical properties and structural behavior in solid-state chemistry.
Key Properties
Cross-validated computational properties for Co2OF3, 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 Co2OF3, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.26 | 0.0522 | -6.132 | 4.60 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0532 | -6.131 | 4.59 |
| Cm (No. 8) | monoclinic | 0.08 | 0.0663 | -6.117 | 4.61 |
| C2/m (No. 12) | monoclinic | 0.42 | 0.0677 | -6.116 | 4.66 |
| Amm2 (No. 38) | orthorhombic | 0.67 | 0.0746 | -6.109 | 4.55 |
| Amm2 (No. 38) | orthorhombic | 0.57 | 0.0751 | -6.109 | 4.56 |
| Cmcm (No. 63) | orthorhombic | 0.63 | 0.0751 | -6.109 | 4.54 |
| Amm2 (No. 38) | orthorhombic | 0.74 | 0.0754 | -6.108 | 4.53 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0843 | -6.100 | 4.68 |
| P1 (No. 1) | triclinic | 0.35 | 0.0907 | -6.093 | 4.55 |
| P1 (No. 1) | triclinic | 0.00 | 0.0930 | -6.091 | 4.55 |
| P1 (No. 1) | triclinic | 0.00 | 0.0975 | -6.086 | 4.53 |
Applications
Where Co2OF3 is used.
Frequently Asked Questions
Common questions about Co2OF3, answered from cross-validated data.
What is Co2OF3?
This compound is a cobalt oxyfluoride material characterized by its specific arrangement of metal, oxygen, and fluorine atoms. It is primarily studied in the context of advanced materials research for its potential electrochemical properties and structural behavior in solid-state chemistry.
What is Co2OF3 used for?
What is the band gap of Co2OF3?
Is Co2OF3 a metal, semiconductor, or insulator?
Is Co2OF3 thermodynamically stable?
What is the crystal structure of Co2OF3?
What is the density of Co2OF3?
How many polymorphs of Co2OF3 are known?
What elements does Co2OF3 contain?
Where does the data for Co2OF3 come from?
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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