Ba4O24Ti4U4
Ba4O24Ti4U4 is a thermodynamically stable, semiconducting perovskite titanate containing barium, titanium, and uranium.
About Ba4O24Ti4U4
Ba4O24Ti4U4 is a complex perovskite titanate that occupies a stable position on the thermodynamic convex hull. As a semiconducting material, it represents an intriguing integration of barium, titanium, and uranium within an oxygen-rich lattice framework. Its structural integrity and electronic nature make it a subject of interest for fundamental materials science studies exploring the interplay between transition metals and actinides in oxide systems. The compound is primarily utilized in research contexts to understand the stabilization of complex perovskite architectures and the influence of heavy elements on semiconducting behavior. By providing a stable platform for electronic investigation, it contributes to the broader understanding of how titanate-based perovskites can be engineered for specialized functional applications.
Key Properties
Cross-validated computational properties for Ba4O24Ti4U4, 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.
Applications
Where Ba4O24Ti4U4 is used.
Frequently Asked Questions
Common questions about Ba4O24Ti4U4, answered from cross-validated data.
What is Ba4O24Ti4U4?
Ba4O24Ti4U4 is a thermodynamically stable, semiconducting perovskite titanate containing barium, titanium, and uranium.
What is Ba4O24Ti4U4 used for?
What is the band gap of Ba4O24Ti4U4?
Is Ba4O24Ti4U4 a metal, semiconductor, or insulator?
Is Ba4O24Ti4U4 thermodynamically stable?
How many polymorphs of Ba4O24Ti4U4 are known?
What elements does Ba4O24Ti4U4 contain?
Where does the data for Ba4O24Ti4U4 come from?
How It Compares
Within the perovskite titanates class.
Within the diverse family of perovskite titanates, Ba4O24Ti4U4 stands out due to the inclusion of uranium, which differentiates its electronic and structural profile from conventional members like BaTiO3 or SrTiO3. While standard titanates are widely utilized for their dielectric and ferroelectric properties, this compound represents a more specialized niche, focusing on the stability of mixed-metal oxide lattices rather than the common dielectric applications seen in simpler siblings like CaTiO3 or Sr3Ti2O7.
Related Compounds
Other Perovskite Titanates in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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