Sm4PdO7
Sm4PdO7 is a semiconducting oxide of samarium and palladium that is theoretically stable enough to be synthesized for experimental investigation.
About Sm4PdO7
Sm4PdO7 is a complex oxide composed of samarium, palladium, and oxygen. As a semiconducting material, it exhibits electronic properties that bridge the gap between metallic conductors and insulating oxides, making it a candidate for specialized electronic applications.
Due to its near-hull thermodynamic stability, this compound is considered a viable target for experimental synthesis. Its structural configuration suggests potential for unique catalytic or electronic behaviors typical of rare-earth palladium oxides.
Key Properties
Cross-validated computational properties for Sm4PdO7, aggregated across 1 database.
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 Sm4PdO7. 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 Sm4PdO7, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.09 | 0.0000 | -3.186 | — |
| P-1 (No. 2) | triclinic | 1.41 | 0.0086 | -8.232 | 7.90 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Sm4PdO7.
Applications
Where Sm4PdO7 is used.
Frequently Asked Questions
Common questions about Sm4PdO7, answered from cross-validated data.
What is Sm4PdO7?
Sm4PdO7 is a semiconducting oxide of samarium and palladium that is theoretically stable enough to be synthesized for experimental investigation.
What is Sm4PdO7 used for?
What is the band gap of Sm4PdO7?
Is Sm4PdO7 a metal, semiconductor, or insulator?
Is Sm4PdO7 thermodynamically stable?
What is the crystal structure of Sm4PdO7?
How is Sm4PdO7 synthesized?
What elements does Sm4PdO7 contain?
Where does the data for Sm4PdO7 come from?
How It Compares
As a unique oxide phase, Sm4PdO7 represents a specific stoichiometry within the broader family of samarium-palladium-oxygen compounds. While it lacks direct structural siblings in this specific dataset, it serves as a critical reference point for understanding the phase stability and electronic trends of complex rare-earth transition metal oxides.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
Analyze Sm4PdO7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →