I2O6Pd2
I2O6Pd2 is a semiconducting palladium iodate compound that is considered a likely candidate for laboratory synthesis.
About I2O6Pd2
I2O6Pd2 is a complex inorganic compound composed of palladium, iodine, and oxygen. It exhibits semiconducting electronic properties, positioning it as an interesting subject for materials research where specific charge transport characteristics are required.
This material is classified as near-hull, indicating that it is thermodynamically stable enough to be considered a viable target for experimental synthesis. Its structural arrangement suggests potential utility in specialized chemical or electronic applications that leverage its unique elemental composition.
Key Properties
Cross-validated computational properties for I2O6Pd2, 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 I2O6Pd2, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.92 | 0.0201 | -4.957 | 5.90 |
| — | — | — | — | — | 5.37 |
| No. 0 | unknown | — | — | — | 0.88 |
| — | — | — | — | — | 6.33 |
Applications
Where I2O6Pd2 is used.
Frequently Asked Questions
Common questions about I2O6Pd2, answered from cross-validated data.
What is I2O6Pd2?
I2O6Pd2 is a semiconducting palladium iodate compound that is considered a likely candidate for laboratory synthesis.
What is I2O6Pd2 used for?
What is the band gap of I2O6Pd2?
Is I2O6Pd2 a metal, semiconductor, or insulator?
Is I2O6Pd2 thermodynamically stable?
What is the crystal structure of I2O6Pd2?
What is the density of I2O6Pd2?
How many polymorphs of I2O6Pd2 are known?
What elements does I2O6Pd2 contain?
Where does the data for I2O6Pd2 come from?
How It Compares
As a distinct palladium-based iodate, I2O6Pd2 serves as a unique entry in inorganic materials science. While it currently stands as a singular entry in its specific chemical grouping, its stability profile suggests it could serve as a foundational reference point for future investigations into similar metal-iodine-oxygen frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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