O14Pb2Ti6
O14Pb2Ti6 is a semiconducting perovskite oxide that is considered a viable candidate for experimental synthesis in advanced materials science.
About O14Pb2Ti6
O14Pb2Ti6 is a complex perovskite oxide that occupies a unique space within the titanate family. Its semiconducting electronic character makes it an intriguing candidate for electronic and optoelectronic applications, particularly where specific band engineering is required to optimize device performance. The compound is recognized as being near-hull, suggesting it is thermodynamically stable enough to be accessible through modern synthesis techniques. Its existence across multiple structural databases underscores its relevance in the ongoing exploration of lead-based perovskite architectures. Researchers value this material for its potential to bridge the gap between traditional dielectric titanates and more functional, active electronic oxides.
Key Properties
Cross-validated computational properties for O14Pb2Ti6, 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.
Reported Structures
Lowest-energy structures reported for O14Pb2Ti6, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 1.98 | 0.0015 | -8.793 | 5.72 |
| — | — | — | — | — | 5.56 |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where O14Pb2Ti6 is used.
Frequently Asked Questions
Common questions about O14Pb2Ti6, answered from cross-validated data.
What is O14Pb2Ti6?
O14Pb2Ti6 is a semiconducting perovskite oxide that is considered a viable candidate for experimental synthesis in advanced materials science.
What is O14Pb2Ti6 used for?
What is the band gap of O14Pb2Ti6?
Is O14Pb2Ti6 a metal, semiconductor, or insulator?
Is O14Pb2Ti6 thermodynamically stable?
What is the crystal structure of O14Pb2Ti6?
What is the density of O14Pb2Ti6?
How many polymorphs of O14Pb2Ti6 are known?
What elements does O14Pb2Ti6 contain?
Where does the data for O14Pb2Ti6 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse family of perovskite oxides, O14Pb2Ti6 offers a distinct alternative to more common members like BaTiO3. While BaTiO3 is a widely utilized ferroelectric, O14Pb2Ti6 provides a different structural and electronic profile that may be better suited for specialized semiconducting applications. Unlike the rare-earth-based perovskites such as LaMnO3 or LaFeO3, which are frequently studied for their magnetic properties, this lead-titanium oxide focuses on the interplay between heavy metal cations and the oxygen framework to achieve its semiconducting behavior.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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