Ti5Pb5O14
Ti5Pb5O14 is a metastable semiconducting perovskite oxide composed of titanium, lead, and oxygen.
About Ti5Pb5O14
Ti5Pb5O14 is a complex perovskite oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural configuration within the oxide family, offering researchers insights into the delicate balance of atomic arrangements that define its stability profile.
This compound is of significant interest in materials science due to its distinct stoichiometry and electronic behavior. Its existence within the perovskite class highlights the versatility of titanium and lead-based oxides in forming complex, non-standard lattice structures that deviate from more common, highly stable perovskite arrangements.
Key Properties
Cross-validated computational properties for Ti5Pb5O14, 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 Ti5Pb5O14, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.41 | 0.0941 | -7.925 | 7.23 |
| P1 (No. 1) | Triclinic | — | — | — | 7.23 |
| P1 (No. 1) | Triclinic | — | — | — | 7.63 |
| P1 (No. 1) | Triclinic | — | — | — | 7.41 |
| P1 (No. 1) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ti5Pb5O14, answered from cross-validated data.
What is Ti5Pb5O14?
Ti5Pb5O14 is a metastable semiconducting perovskite oxide composed of titanium, lead, and oxygen.
What is the band gap of Ti5Pb5O14?
Is Ti5Pb5O14 a metal, semiconductor, or insulator?
Is Ti5Pb5O14 thermodynamically stable?
What is the crystal structure of Ti5Pb5O14?
What is the density of Ti5Pb5O14?
How many polymorphs of Ti5Pb5O14 are known?
What elements does Ti5Pb5O14 contain?
Where does the data for Ti5Pb5O14 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly stable and widely utilized BaTiO3 or the magnetic perovskites like LaMnO3 and BiFeO3, Ti5Pb5O14 exists as a metastable phase. While many of its siblings in the perovskite class are prized for their robust stability and well-defined ferroelectric or catalytic properties, this compound occupies a more specialized niche, serving as a subject of study for understanding structural metastability in complex oxide systems.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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