CoF2
Cobalt(II) fluoride · Cobaltous fluoride
Cobalt(II) fluoride is a stable, semiconducting inorganic compound primarily used as a chemical reagent and catalyst in industrial processes.
About Cobalt(II) fluoride
Cobalt(II) fluoride is a robust inorganic compound that exists as a thermodynamically stable phase. Its electronic character as a semiconductor makes it an interesting subject for fundamental materials research and specialized chemical synthesis.
Due to its high structural reliability and well-documented nature, this compound serves as a critical precursor in various industrial applications. It is frequently utilized in the synthesis of other cobalt-containing materials and as a specific fluorinating agent in organic chemistry.
Key Properties
Cross-validated computational properties for Cobalt(II) fluoride, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CoF2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CoF2, 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. |
|---|---|---|---|---|---|
| P42/mnm (No. 136) | tetragonal | 2.27 | 0.0000 | -5.995 | 4.67 |
| P42/mnm (No. 136) | tetragonal | 0.00 | 0.0000 | -1.806 | — |
| — | — | 0.00 | 0.0000 | -1.954 | — |
| — | — | 0.29 | 0.0043 | -1.949 | — |
| — | — | 0.00 | 0.0345 | -1.919 | — |
| — | — | 0.00 | 0.0557 | -1.898 | — |
| — | — | 0.00 | 0.0610 | -1.893 | — |
| — | — | 0.64 | 0.0615 | -1.892 | — |
| — | — | 0.00 | 0.0668 | -1.887 | — |
| — | — | 1.17 | 0.0669 | -1.887 | — |
| — | — | 0.48 | 0.0752 | -1.879 | — |
| — | — | 0.72 | 0.0782 | -1.876 | — |
Applications
Where Cobalt(II) fluoride is used.
Frequently Asked Questions
Common questions about Cobalt(II) fluoride, answered from cross-validated data.
What is CoF2?
Cobalt(II) fluoride is a stable, semiconducting inorganic compound primarily used as a chemical reagent and catalyst in industrial processes.
What is CoF2 used for?
What is the band gap of CoF2?
Is CoF2 a metal, semiconductor, or insulator?
Is CoF2 thermodynamically stable?
What is the crystal structure of CoF2?
What is the density of CoF2?
How many polymorphs of CoF2 are known?
What elements does CoF2 contain?
Where does the data for CoF2 come from?
How It Compares
As a thermodynamically stable inorganic fluoride, this compound represents a foundational material in its class. It is characterized by a high degree of structural diversity, supported by extensive experimental and computational data that confirm its reliability for use in demanding chemical environments.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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