La4PdO7
La4PdO7 is a metastable semiconducting oxide composed of lanthanum, palladium, and oxygen that is primarily studied for its structural diversity.
About La4PdO7
La4PdO7 is a complex oxide featuring lanthanum, palladium, and oxygen. As a semiconducting material, it represents a specialized interest in the study of ternary oxides where electronic properties are tuned through specific elemental coordination.
Because it exists in a metastable state, this compound is a subject of significant structural investigation. Researchers examine its diverse reported configurations to understand the synthesis pathways and stability limits inherent in these palladium-based oxide systems.
Key Properties
Cross-validated computational properties for La4PdO7, 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 La4PdO7. 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 La4PdO7, 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/m (No. 12) | monoclinic | 0.35 | 0.0010 | -3.225 | — |
| — | — | 0.39 | 0.0261 | -3.201 | — |
| C2/m (No. 12) | monoclinic | 0.45 | 0.0263 | -8.324 | 6.80 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.91 |
| C2/m (No. 12) | monoclinic | — | — | — | 7.04 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.92 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.80 |
Synthesis Routes
Literature-extracted synthesis procedures targeting La4PdO7.
Frequently Asked Questions
Common questions about La4PdO7, answered from cross-validated data.
What is La4PdO7?
La4PdO7 is a metastable semiconducting oxide composed of lanthanum, palladium, and oxygen that is primarily studied for its structural diversity.
What is the band gap of La4PdO7?
Is La4PdO7 a metal, semiconductor, or insulator?
Is La4PdO7 thermodynamically stable?
What is the crystal structure of La4PdO7?
How many polymorphs of La4PdO7 are known?
How is La4PdO7 synthesized?
What elements does La4PdO7 contain?
Where does the data for La4PdO7 come from?
How It Compares
As a unique ternary oxide, La4PdO7 serves as a distinct case study within the broader landscape of lanthanum-palladium ceramics, representing a specialized niche where metastable phases offer insights into the complex interplay between transition metals and rare-earth elements.
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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