Na2PbO3
Na2PbO3 is a thermodynamically stable, semiconducting sodium lead oxide known for its structural complexity.
About Na2PbO3
Na2PbO3 is a thermodynamically stable ternary oxide that occupies a position on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers unique electronic properties that distinguish it from simple binary oxides, making it a subject of interest for fundamental solid-state research.
The compound is characterized by a notable degree of structural diversity, with multiple reported configurations across various databases. This complexity suggests a flexible lattice arrangement, which is essential for exploring new functional materials in the broader landscape of sodium-based lead oxides.
Key Properties
Cross-validated computational properties for Na2PbO3, 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 Na2PbO3. 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 Na2PbO3, 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/c (No. 15) | monoclinic | 1.78 | 0.0000 | -5.219 | 6.44 |
| — | — | 1.51 | 0.0000 | -1.591 | — |
| C2/c (No. 15) | monoclinic | 1.25 | 0.0000 | -1.520 | — |
| — | — | 1.17 | 0.0226 | -1.568 | — |
| — | — | 0.93 | 0.0543 | -1.536 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 6.46 |
| C2/c (No. 15) | monoclinic | — | — | — | 6.36 |
| C2/c (No. 15) | monoclinic | — | — | — | 6.10 |
Applications
Where Na2PbO3 is used.
Frequently Asked Questions
Common questions about Na2PbO3, answered from cross-validated data.
What is Na2PbO3?
Na2PbO3 is a thermodynamically stable, semiconducting sodium lead oxide known for its structural complexity.
What is Na2PbO3 used for?
What is the band gap of Na2PbO3?
Is Na2PbO3 a metal, semiconductor, or insulator?
Is Na2PbO3 thermodynamically stable?
What is the crystal structure of Na2PbO3?
What is the density of Na2PbO3?
How many polymorphs of Na2PbO3 are known?
What elements does Na2PbO3 contain?
Where does the data for Na2PbO3 come from?
How It Compares
As a thermodynamically stable member of its class, Na2PbO3 serves as a foundational reference point for investigating the electronic and structural behavior of sodium-lead-oxygen systems. Its stability ensures it remains a reliable subject for researchers aiming to understand the interplay between alkali metal cations and heavy metal oxides.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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