PtI3
PtI3 is a thermodynamically stable semiconducting platinum-iodide compound used in catalytic research.
About PtI3
PtI3 is a distinct member of the platinum-group alloy catalyst family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within the platinum-iodide system, offering unique potential for specialized catalytic applications.
Its structural complexity is evidenced by its presence across multiple databases, highlighting its significance in materials research. By leveraging the noble metal properties of platinum alongside the reactivity of iodine, this compound serves as a critical subject for those investigating electronic tuning in heterogeneous catalysis.
Key Properties
Cross-validated computational properties for PtI3, 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 PtI3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.35 | 0.0000 | -3.092 | 6.81 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.05 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.96 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.62 |
| P2/m (No. 10) | Monoclinic | — | — | — | 10.69 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 11.12 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.65 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.93 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.57 |
| P2/m (No. 10) | Monoclinic | — | — | — | 7.70 |
| Cm (No. 8) | Monoclinic | — | — | — | 8.81 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.99 |
Applications
Where PtI3 is used.
Frequently Asked Questions
Common questions about PtI3, answered from cross-validated data.
What is PtI3?
PtI3 is a thermodynamically stable semiconducting platinum-iodide compound used in catalytic research.
What is PtI3 used for?
What is the band gap of PtI3?
Is PtI3 a metal, semiconductor, or insulator?
Is PtI3 thermodynamically stable?
What is the crystal structure of PtI3?
What is the density of PtI3?
How many polymorphs of PtI3 are known?
What elements does PtI3 contain?
Where does the data for PtI3 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, PtI3 occupies a unique niche compared to more metallic counterparts like LaRh or BaPd. While many members of this class exhibit strong metallic behavior, the semiconducting nature of PtI3 allows for distinct charge transport properties that differentiate it from the traditional metallic conductors found in the group, such as GeRu or As2Ir.
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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