Sr2PbO4
Sr2PbO4 is a thermodynamically stable semiconducting ternary oxide composed of strontium, lead, and oxygen.
About Sr2PbO4
Sr2PbO4 is a thermodynamically stable inorganic oxide that sits on the convex hull, indicating significant structural robustness. Its semiconducting electronic character makes it an intriguing subject for investigating charge transport and optoelectronic properties in complex oxide systems.
As a material that maintains structural integrity under standard conditions, it serves as a valuable candidate for fundamental studies in solid-state chemistry. Its specific arrangement of strontium, lead, and oxygen atoms provides a unique template for exploring how heavy metal cations influence the electronic landscape of ternary oxides.
Key Properties
Cross-validated computational properties for Sr2PbO4, aggregated across 2 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 Sr2PbO4. 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 Sr2PbO4, 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. |
|---|---|---|---|---|---|
| — | — | 1.65 | 0.0000 | -2.310 | — |
| Pbam (No. 55) | orthorhombic | 1.43 | 0.0000 | -2.291 | — |
| Pbam (No. 55) | orthorhombic | 1.39 | 0.0000 | -6.307 | 6.73 |
| — | — | 1.64 | 0.0527 | -2.258 | — |
| — | — | 1.71 | 0.1050 | -2.205 | — |
| — | — | 1.02 | 0.1142 | -2.196 | — |
| Pbam (No. 55) | orthorhombic | — | — | — | 6.85 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Sr2PbO4.
Applications
Where Sr2PbO4 is used.
Frequently Asked Questions
Common questions about Sr2PbO4, answered from cross-validated data.
What is Sr2PbO4?
Sr2PbO4 is a thermodynamically stable semiconducting ternary oxide composed of strontium, lead, and oxygen.
What is Sr2PbO4 used for?
What is the band gap of Sr2PbO4?
Is Sr2PbO4 a metal, semiconductor, or insulator?
Is Sr2PbO4 thermodynamically stable?
What is the crystal structure of Sr2PbO4?
How many polymorphs of Sr2PbO4 are known?
How is Sr2PbO4 synthesized?
What elements does Sr2PbO4 contain?
Where does the data for Sr2PbO4 come from?
How It Compares
As a standalone entry in this specific compositional space, Sr2PbO4 serves as a primary reference point for understanding the interplay between alkaline earth metals and heavy post-transition metals in oxide lattices. Its position on the convex hull distinguishes it as a stable phase, providing a baseline for future experimental and computational investigations into similar complex oxide architectures.
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)
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