PdI2
Palladium(II) iodide · Palladium diiodide
Palladium(II) iodide is a stable, semiconducting inorganic compound used as a precursor in catalytic chemical synthesis.
About Palladium(II) iodide
Palladium(II) iodide is a thermodynamically stable compound that occupies a distinct position within the platinum-group catalyst class. As a semiconducting material, it exhibits unique electronic properties that differentiate it from metallic alloys, making it a subject of significant interest in structural chemistry with numerous reported configurations.
This compound serves as a critical precursor in various catalytic processes. Its stability on the convex hull underscores its reliability as a building block for advanced materials, particularly in applications requiring precise control over palladium-based chemical reactivity.
Key Properties
Cross-validated computational properties for Palladium(II) iodide, 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 PdI2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.93 | 0.0000 | -3.246 | 5.84 |
| Pnnm (No. 58) | orthorhombic | 0.95 | 0.0195 | -3.226 | 5.51 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.73 |
| Pnnm (No. 58) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 7.53 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.68 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.56 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.66 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 6.00 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.63 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.46 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.64 |
Applications
Where Palladium(II) iodide is used.
Frequently Asked Questions
Common questions about Palladium(II) iodide, answered from cross-validated data.
What is PdI2?
Palladium(II) iodide is a stable, semiconducting inorganic compound used as a precursor in catalytic chemical synthesis.
What is PdI2 used for?
What is the band gap of PdI2?
Is PdI2 a metal, semiconductor, or insulator?
Is PdI2 thermodynamically stable?
What is the crystal structure of PdI2?
What is the density of PdI2?
How many polymorphs of PdI2 are known?
What elements does PdI2 contain?
Where does the data for PdI2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike metallic platinum-group alloys such as BaPd or LaRh, which often exhibit high electrical conductivity, PdI2 functions as a semiconducting material. While compounds like As2Pt or IrSe2 are frequently studied for their complex electronic architectures, PdI2 remains a fundamental, stable halide that provides a different chemical pathway for catalytic applications compared to its intermetallic siblings.
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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