PtCl3
PtCl3 is a thermodynamically stable, semiconducting platinum-group halide used primarily as a specialized catalyst in chemical synthesis.
About PtCl3
PtCl3 is a distinct member of the platinum-group halide family, characterized by its semiconducting electronic structure. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within its chemical system, making it a subject of significant interest for structural and catalytic research. Its existence across numerous reported structures highlights its versatility and the complexity of its bonding environment. This compound serves as a critical building block in materials science, where its electronic properties are leveraged to facilitate specific chemical transformations. By providing a stable platform for surface reactions, it plays a vital role in the development of efficient catalytic processes that require precise electronic control.
Key Properties
Cross-validated computational properties for PtCl3, 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 PtCl3, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.95 | 0.0000 | -17.989 | 5.17 |
| P1 (No. 1) | Triclinic | — | — | — | 5.45 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.15 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.21 |
| P1 (No. 1) | Triclinic | — | — | — | 3.51 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.24 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.82 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.86 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.43 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.60 |
| P1 (No. 1) | Triclinic | — | — | — | 4.51 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.13 |
Applications
Where PtCl3 is used.
Frequently Asked Questions
Common questions about PtCl3, answered from cross-validated data.
What is PtCl3?
PtCl3 is a thermodynamically stable, semiconducting platinum-group halide used primarily as a specialized catalyst in chemical synthesis.
What is PtCl3 used for?
What is the band gap of PtCl3?
Is PtCl3 a metal, semiconductor, or insulator?
Is PtCl3 thermodynamically stable?
What is the crystal structure of PtCl3?
What is the density of PtCl3?
How many polymorphs of PtCl3 are known?
What elements does PtCl3 contain?
Where does the data for PtCl3 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike intermetallic compounds in its class such as LaRh or GeRu, which typically exhibit metallic behavior and complex alloy bonding, PtCl3 functions as a semiconducting halide. While siblings like As2Pt or IrSe2 often focus on structural stability in pnictide or chalcogenide frameworks, PtCl3 is defined by its specific halogen-based coordination, setting it apart as a specialized catalyst compared to the broader, more metallic-focused members of the platinum-group alloy category.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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