F5P
Phosphorus pentafluoride · PF5
Phosphorus pentafluoride is a colorless, reactive gas that serves as a significant fluorinating agent in chemical synthesis. It is frequently utilized as a catalyst in various industrial chemical processes, particularly those involving polymerization.
Key Properties
Cross-validated computational properties for Phosphorus pentafluoride, 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 F5P, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 7.11 | 0.0000 | -6.832 | 2.70 |
| P1 (No. 1) | — | — | — | — | — |
| — | — | — | — | — | 2.42 |
Applications
Where Phosphorus pentafluoride is used.
Frequently Asked Questions
Common questions about Phosphorus pentafluoride, answered from cross-validated data.
What is F5P?
Phosphorus pentafluoride is a colorless, reactive gas that serves as a significant fluorinating agent in chemical synthesis. It is frequently utilized as a catalyst in various industrial chemical processes, particularly those involving polymerization.
What is F5P used for?
What is the band gap of F5P?
Is F5P a metal, semiconductor, or insulator?
Is F5P thermodynamically stable?
What is the crystal structure of F5P?
What is the density of F5P?
How many polymorphs of F5P are known?
What elements does F5P contain?
Where does the data for F5P come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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