BaY2NiO5
BaY2NiO5 is a semiconducting nickelate oxide that is thermodynamically stable and structurally diverse.
About BaY2NiO5
BaY2NiO5 is a complex nickelate oxide that exhibits semiconducting electronic behavior. Its structural configuration and chemical composition position it as a material of interest for researchers investigating transition metal oxides with unique magnetic or electronic properties.
As a near-hull compound, it is considered thermodynamically stable and likely synthesizable under appropriate experimental conditions. The existence of multiple reported structural variations across databases underscores its significance in the study of complex oxide phase spaces.
Key Properties
Cross-validated computational properties for BaY2NiO5, 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 BaY2NiO5.
Applications
Where BaY2NiO5 is used.
Frequently Asked Questions
Common questions about BaY2NiO5, answered from cross-validated data.
What is BaY2NiO5?
BaY2NiO5 is a semiconducting nickelate oxide that is thermodynamically stable and structurally diverse.
What is BaY2NiO5 used for?
What is the band gap of BaY2NiO5?
Is BaY2NiO5 a metal, semiconductor, or insulator?
Is BaY2NiO5 thermodynamically stable?
How many polymorphs of BaY2NiO5 are known?
How is BaY2NiO5 synthesized?
What elements does BaY2NiO5 contain?
Where does the data for BaY2NiO5 come from?
How It Compares
As a unique nickelate oxide, BaY2NiO5 serves as a distinct representative of its chemical class, offering a specific structural framework that differentiates it from more common binary or simple ternary oxides. Its ability to maintain structural integrity while hosting nickel within a yttrium-barium oxide lattice makes it a valuable subject for comparative studies on electronic transport and stability in complex ceramic systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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