PdSO4
palladium(II) sulfate · palladous sulfate
Palladium(II) sulfate is a stable, semiconducting inorganic salt frequently utilized as a source of palladium for chemical synthesis and catalytic processes.
About palladium(II) sulfate
Palladium(II) sulfate is a thermodynamically stable inorganic compound characterized by its semiconducting electronic nature. Its structural versatility is evidenced by multiple reported configurations across crystallographic databases, highlighting its significance in materials research. As a metal sulfate, it serves as a critical precursor in the synthesis of palladium-based catalysts and various chemical reagents. Its stability makes it a reliable component in specialized industrial applications requiring precise palladium chemistry.
Key Properties
Cross-validated computational properties for palladium(II) sulfate, 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 PdSO4. 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 PdSO4, 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 | 1.13 | 0.0000 | -0.977 | — |
| — | — | 0.99 | 0.0000 | -1.252 | — |
| C2/c (No. 15) | monoclinic | 0.96 | 0.0000 | -6.268 | 3.69 |
| C2/c (No. 15) | monoclinic | 1.12 | 0.0095 | -6.259 | 4.06 |
| — | — | 0.00 | 0.1018 | -1.150 | — |
| — | — | 0.00 | 0.1385 | -1.114 | — |
| — | — | 0.49 | 0.2012 | -1.051 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 4.44 |
| C2 (No. 5) | monoclinic | — | — | — | 4.95 |
| C2 (No. 5) | monoclinic | — | — | — | 6.33 |
| C2 (No. 5) | monoclinic | — | — | — | 4.57 |
Applications
Where palladium(II) sulfate is used.
Frequently Asked Questions
Common questions about palladium(II) sulfate, answered from cross-validated data.
What is PdSO4?
Palladium(II) sulfate is a stable, semiconducting inorganic salt frequently utilized as a source of palladium for chemical synthesis and catalytic processes.
What is PdSO4 used for?
What is the band gap of PdSO4?
Is PdSO4 a metal, semiconductor, or insulator?
Is PdSO4 thermodynamically stable?
What is the crystal structure of PdSO4?
What is the density of PdSO4?
How many polymorphs of PdSO4 are known?
What elements does PdSO4 contain?
Where does the data for PdSO4 come from?
How It Compares
As a distinct member of the metal sulfate family, palladium(II) sulfate occupies a unique position due to the noble metal character of palladium. Unlike more common transition metal sulfates, its electronic properties and structural stability make it a specialized choice for catalytic applications where palladium ion availability is essential.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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