K2PdO2
K2PdO2 is a stable, semiconducting ternary oxide containing potassium, palladium, and oxygen.
About K2PdO2
K2PdO2 is a ternary oxide composed of potassium, palladium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within this chemical system.
The material exhibits semiconducting electronic behavior, which distinguishes its potential for specialized electronic or catalytic applications. With multiple documented structural configurations across research databases, it remains a subject of interest for fundamental materials science studies.
Key Properties
Cross-validated computational properties for K2PdO2, 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 K2PdO2. 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 K2PdO2, 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. |
|---|---|---|---|---|---|
| — | — | 1.47 | 0.0000 | -1.188 | — |
| Immm (No. 71) | orthorhombic | 1.46 | 0.0000 | -1.242 | — |
| Immm (No. 71) | orthorhombic | 1.46 | 0.0000 | -1.242 | — |
| Immm (No. 71) | orthorhombic | 1.37 | 0.0000 | -4.757 | 4.46 |
| — | — | 1.42 | 0.0051 | -1.183 | — |
| — | — | 1.62 | 0.0361 | -1.152 | — |
| — | — | 0.00 | 0.1868 | -1.001 | — |
| Immm (No. 71) | orthorhombic | — | — | — | 4.39 |
| Immm (No. 71) | orthorhombic | — | — | — | 4.46 |
| Immm (No. 71) | orthorhombic | — | — | — | 4.23 |
Applications
Where K2PdO2 is used.
Frequently Asked Questions
Common questions about K2PdO2, answered from cross-validated data.
What is K2PdO2?
K2PdO2 is a stable, semiconducting ternary oxide containing potassium, palladium, and oxygen.
What is K2PdO2 used for?
What is the band gap of K2PdO2?
Is K2PdO2 a metal, semiconductor, or insulator?
Is K2PdO2 thermodynamically stable?
What is the crystal structure of K2PdO2?
How many polymorphs of K2PdO2 are known?
What elements does K2PdO2 contain?
Where does the data for K2PdO2 come from?
How It Compares
As a distinct ternary oxide, K2PdO2 serves as a foundational example of how alkali metals can stabilize noble metal oxides. It occupies a unique position in the landscape of palladium-based ceramics, offering a stable stoichiometry that contrasts with more volatile or less ordered oxide phases.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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