Ca3Ti2O7
Ca3Ti2O7 is a semiconducting perovskite oxide that exhibits structural stability near the thermodynamic hull, making it a significant subject for materials science research.
About Ca3Ti2O7
Ca3Ti2O7 is a complex perovskite oxide that exists as a semiconducting material. Its structural configuration places it within a class of oxides known for their diverse electronic and magnetic behaviors, making it a subject of interest for fundamental materials research. The compound is considered near-hull in terms of thermodynamic stability, suggesting it is a viable candidate for experimental synthesis and characterization. This accessibility has led to multiple reported structural variations across major material databases. As a member of the titanate family, it plays a role in exploring the relationship between crystal symmetry and electronic properties. Its potential for integration into functional oxide devices continues to drive interest in its synthesis and phase stability.
Key Properties
Cross-validated computational properties for Ca3Ti2O7, 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.
Synthesis Routes
Literature-extracted synthesis procedures targeting Ca3Ti2O7.
Applications
Where Ca3Ti2O7 is used.
Frequently Asked Questions
Common questions about Ca3Ti2O7, answered from cross-validated data.
What is Ca3Ti2O7?
Ca3Ti2O7 is a semiconducting perovskite oxide that exhibits structural stability near the thermodynamic hull, making it a significant subject for materials science research.
What is Ca3Ti2O7 used for?
What is the band gap of Ca3Ti2O7?
Is Ca3Ti2O7 a metal, semiconductor, or insulator?
Is Ca3Ti2O7 thermodynamically stable?
How many polymorphs of Ca3Ti2O7 are known?
How is Ca3Ti2O7 synthesized?
What elements does Ca3Ti2O7 contain?
Where does the data for Ca3Ti2O7 come from?
How It Compares
Within the perovskite oxides class.
Within the expansive family of perovskite oxides, Ca3Ti2O7 occupies a distinct niche compared to highly studied ferroelectrics like BaTiO3. While BaTiO3 is widely utilized for its robust dielectric properties, Ca3Ti2O7 offers a different structural framework that allows researchers to probe the effects of layered geometry on semiconducting behavior, distinguishing it from the more common cubic or distorted perovskite structures found in materials like LaAlO3 or LaFeO3.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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