Sb2PbO6
Sb2PbO6 is a thermodynamically stable, semiconducting lead antimony oxide that exists in multiple structural forms.
About Sb2PbO6
Sb2PbO6 is a complex oxide composed of antimony, lead, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural arrangement that is well-supported by multiple reported experimental and computational entries. Its electronic character is defined as semiconducting, making it a subject of interest for researchers investigating functional inorganic materials. The material's stability suggests potential for integration into systems where consistent phase behavior is required under various processing conditions. Its structural diversity, evidenced by multiple known configurations, highlights its versatility within the broader landscape of lead-antimony oxides.
Key Properties
Cross-validated computational properties for Sb2PbO6, 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 Sb2PbO6. 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 Sb2PbO6, 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. |
|---|---|---|---|---|---|
| — | — | 2.16 | 0.0000 | -1.718 | — |
| P-31m (No. 162) | trigonal | 2.15 | 0.0000 | -1.519 | — |
| P-31m (No. 162) | trigonal | 1.92 | 0.0000 | -6.529 | 6.89 |
| — | — | 2.05 | 0.0010 | -1.717 | — |
| — | — | 0.00 | 0.2157 | -1.503 | — |
| P-31m (No. 162) | trigonal | — | — | — | 6.84 |
| P312 (No. 149) | trigonal | — | — | — | 6.95 |
| P-31m (No. 162) | trigonal | — | — | — | 7.19 |
| P-31m (No. 162) | trigonal | — | — | — | 6.94 |
| P-31m (No. 162) | trigonal | — | — | — | 6.62 |
| P-31m (No. 162) | trigonal | — | — | — | 6.96 |
Applications
Where Sb2PbO6 is used.
Frequently Asked Questions
Common questions about Sb2PbO6, answered from cross-validated data.
What is Sb2PbO6?
Sb2PbO6 is a thermodynamically stable, semiconducting lead antimony oxide that exists in multiple structural forms.
What is Sb2PbO6 used for?
What is the band gap of Sb2PbO6?
Is Sb2PbO6 a metal, semiconductor, or insulator?
Is Sb2PbO6 thermodynamically stable?
What is the crystal structure of Sb2PbO6?
How many polymorphs of Sb2PbO6 are known?
What elements does Sb2PbO6 contain?
Where does the data for Sb2PbO6 come from?
How It Compares
As a distinct oxide phase, Sb2PbO6 occupies a unique position in materials science due to its thermodynamic stability and semiconducting nature. While it does not share a direct, well-defined class with other common binary or ternary oxides, its ability to maintain structural integrity on the convex hull distinguishes it as a reliable candidate for further study in electronic and optoelectronic material development.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- 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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