PtF4
platinum(IV) fluoride · platinum tetrafluoride
Platinum(IV) fluoride is a stable, semiconducting inorganic compound composed of platinum and fluorine.
About platinum(IV) fluoride
Platinum(IV) fluoride is a thermodynamically stable compound that stands out within the platinum-group material class for its distinct semiconducting electronic character. Its robust structural integrity is evidenced by its presence on the convex hull, making it a reliable subject for advanced chemical research.
This material serves as a critical component in specialized chemical processes, particularly those requiring high-valence platinum species. Its unique electronic profile and stability make it a valuable asset for researchers investigating the intersection of noble metal chemistry and halide-based catalytic systems.
Key Properties
Cross-validated computational properties for platinum(IV) fluoride, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of PtF4. 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 PtF4, 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. |
|---|---|---|---|---|---|
| — | — | 1.47 | 0.0000 | -1.496 | — |
| Fdd2 (No. 43) | orthorhombic | 1.30 | 0.0000 | -1.312 | — |
| Fdd2 (No. 43) | orthorhombic | 1.29 | 0.0000 | -4.314 | 7.13 |
| Cc (No. 9) | monoclinic | 1.22 | 0.0347 | -4.279 | 6.56 |
| — | — | 0.36 | 0.0984 | -1.398 | — |
| — | — | 0.31 | 0.1033 | -1.393 | — |
| — | — | 0.35 | 0.1038 | -1.393 | — |
| — | — | 0.00 | 0.1468 | -1.350 | — |
| P1 (No. 1) | triclinic | — | — | — | 6.09 |
| Fdd2 (No. 43) | orthorhombic | — | — | — | 7.08 |
| Cm (No. 8) | monoclinic | — | — | — | 7.08 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.40 |
Applications
Where platinum(IV) fluoride is used.
Frequently Asked Questions
Common questions about platinum(IV) fluoride, answered from cross-validated data.
What is PtF4?
Platinum(IV) fluoride is a stable, semiconducting inorganic compound composed of platinum and fluorine.
What is PtF4 used for?
What is the band gap of PtF4?
Is PtF4 a metal, semiconductor, or insulator?
Is PtF4 thermodynamically stable?
What is the crystal structure of PtF4?
How many polymorphs of PtF4 are known?
What elements does PtF4 contain?
Where does the data for PtF4 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike the metallic or intermetallic members of the platinum-group class such as P3Ru or LaRh, PtF4 exhibits a semiconducting nature that distinguishes it from its conductive alloy counterparts. While many class members like As2Ir or GeRu are characterized by their metallic bonding, PtF4 relies on its halide framework to dictate its electronic behavior, positioning it as a specialized inorganic compound within a group largely dominated by metallic alloys.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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