Sb2Pb2O7
Sb2Pb2O7 is a semiconducting lead-antimony oxide that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
About Sb2Pb2O7
Sb2Pb2O7 is a complex oxide composed of lead, antimony, and oxygen. As a semiconducting material, it occupies a unique position in solid-state chemistry, offering potential for electronic and optoelectronic applications due to its specific elemental composition.
This compound is noted for its near-hull thermodynamic stability, suggesting it is a viable candidate for experimental synthesis. With multiple structural configurations identified in materials databases, it serves as a significant subject for researchers investigating the interplay between heavy-metal cations and oxygen coordination.
Key Properties
Cross-validated computational properties for Sb2Pb2O7, 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 Sb2Pb2O7. 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 Sb2Pb2O7, 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. |
|---|---|---|---|---|---|
| Ima2 (No. 46) | orthorhombic | 1.73 | 0.0000 | -1.491 | — |
| Ima2 (No. 46) | orthorhombic | 1.65 | 0.0139 | -6.383 | 8.25 |
| — | — | 0.00 | 0.0833 | -1.563 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0861 | -6.310 | 7.99 |
| — | — | 1.78 | 0.1715 | -1.475 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.4225 | -1.068 | — |
| — | — | 0.00 | 0.4436 | -1.202 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.4440 | -5.952 | 8.26 |
| Ima2 (No. 46) | orthorhombic | — | — | — | 8.34 |
| Fd-3m (No. 227) | cubic | — | — | — | 9.09 |
| Fd-3m (No. 227) | cubic | — | — | — | 8.33 |
| Fd-3m (No. 227) | cubic | — | — | — | 8.65 |
Applications
Where Sb2Pb2O7 is used.
Frequently Asked Questions
Common questions about Sb2Pb2O7, answered from cross-validated data.
What is Sb2Pb2O7?
Sb2Pb2O7 is a semiconducting lead-antimony oxide that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
What is Sb2Pb2O7 used for?
What is the band gap of Sb2Pb2O7?
Is Sb2Pb2O7 a metal, semiconductor, or insulator?
Is Sb2Pb2O7 thermodynamically stable?
What is the crystal structure of Sb2Pb2O7?
What is the density of Sb2Pb2O7?
How many polymorphs of Sb2Pb2O7 are known?
What elements does Sb2Pb2O7 contain?
Where does the data for Sb2Pb2O7 come from?
How It Compares
As a distinct member of the lead-antimony oxide family, Sb2Pb2O7 represents a specific stoichiometry that bridges the gap between simpler binary oxides and more complex mineral-like structures. Its semiconducting nature and structural diversity make it a notable case study for those exploring the broader landscape of mixed-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)
- 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)
- 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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