La2PdO4
La2PdO4 is a metastable, metallic ternary oxide containing lanthanum, palladium, and oxygen.
About La2PdO4
La2PdO4 is a complex ternary oxide composed of lanthanum, palladium, and oxygen. As a metallic material, it exhibits distinct electronic behavior that sets it apart from typical insulating or semiconducting oxides found in similar chemical families.
This compound is classified as metastable, indicating that its synthesis and preservation require specific conditions to maintain its structural integrity. Its existence across multiple reported structures highlights its significance in fundamental materials research.
Key Properties
Cross-validated computational properties for La2PdO4, 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 La2PdO4. 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 La2PdO4, 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. |
|---|---|---|---|---|---|
| — | — | 1.44 | 0.0271 | -2.854 | — |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0316 | -2.842 | — |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0552 | -7.960 | 7.02 |
| — | — | 0.00 | 0.0585 | -2.822 | — |
| — | — | 0.00 | 0.5321 | -2.349 | — |
| I4/mmm (No. 139) | tetragonal | — | — | — | 7.17 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 7.32 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 7.02 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 7.16 |
Synthesis Routes
Literature-extracted synthesis procedures targeting La2PdO4.
Frequently Asked Questions
Common questions about La2PdO4, answered from cross-validated data.
What is La2PdO4?
La2PdO4 is a metastable, metallic ternary oxide containing lanthanum, palladium, and oxygen.
What is the band gap of La2PdO4?
Is La2PdO4 a metal, semiconductor, or insulator?
Is La2PdO4 thermodynamically stable?
What is the crystal structure of La2PdO4?
How many polymorphs of La2PdO4 are known?
How is La2PdO4 synthesized?
What elements does La2PdO4 contain?
Where does the data for La2PdO4 come from?
How It Compares
As a unique ternary oxide, La2PdO4 serves as a specialized subject of study within the broader landscape of lanthanum-based transition metal oxides, providing a distinct metallic profile that contrasts with the more common insulating members of the broader oxide class.
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)
- 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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