CF2
CF2 is an insulating carbon-fluorine compound that exhibits structural diversity despite its inherent thermodynamic instability.
About CF2
CF2 is a binary compound composed of carbon and fluorine, characterized by its wide-band-gap insulating electronic profile. Its structural landscape is notably diverse, with numerous reported configurations identified across multiple materials databases.
Despite its structural variety, the compound is identified as being above the thermodynamic hull, suggesting it is inherently unstable under standard conditions. This metastability makes it a subject of significant interest for researchers investigating high-energy chemical pathways and specialized fluorinated precursors.
Key Properties
Cross-validated computational properties for CF2, aggregated across 4 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 CF2. 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 CF2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 4.86 | 0.2390 | -1.273 | — |
| — | — | 4.70 | 0.2393 | -1.480 | — |
| P-1 (No. 2) | triclinic | 4.85 | 0.2397 | -1.272 | — |
| P-1 (No. 2) | triclinic | 4.91 | 0.2460 | -5.924 | 1.99 |
| Pm (No. 6) | monoclinic | 0.32 | 1.2575 | -0.254 | — |
| — | — | 0.00 | 1.9065 | 0.187 | — |
| — | — | 1.79 | 2.2094 | 0.490 | — |
| — | — | 2.09 | 2.4063 | 0.687 | — |
| Pmm2 (No. 25) | orthorhombic | 0.00 | 3.0404 | 1.528 | — |
| — | — | 0.00 | 3.7685 | 2.049 | — |
| P-1 (No. 2) | triclinic | — | — | — | 2.79 |
| P-1 (No. 2) | triclinic | — | — | — | 3.24 |
Applications
Where CF2 is used.
Frequently Asked Questions
Common questions about CF2, answered from cross-validated data.
What is CF2?
CF2 is an insulating carbon-fluorine compound that exhibits structural diversity despite its inherent thermodynamic instability.
What is CF2 used for?
What is the band gap of CF2?
Is CF2 a metal, semiconductor, or insulator?
Is CF2 thermodynamically stable?
What is the crystal structure of CF2?
How many polymorphs of CF2 are known?
What elements does CF2 contain?
Where does the data for CF2 come from?
How It Compares
As a unique binary system, CF2 stands as a distinct subject of study within its chemical class, serving as a critical reference point for understanding the bonding and stability limits of carbon-fluorine architectures.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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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