BaNd2NiO5
BaNd2NiO5 is a stable, semiconducting quaternary oxide containing barium, neodymium, and nickel.
About BaNd2NiO5
BaNd2NiO5 is a complex oxide composed of barium, neodymium, nickel, and oxygen. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, characterized by a semiconducting electronic nature.
This material is of significant interest to researchers investigating transition metal oxides with specific electronic properties. Its structural stability makes it a reliable candidate for fundamental studies into the interplay between rare-earth elements and nickel-based oxide frameworks.
Key Properties
Cross-validated computational properties for BaNd2NiO5, 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 BaNd2NiO5 is used.
Frequently Asked Questions
Common questions about BaNd2NiO5, answered from cross-validated data.
What is BaNd2NiO5?
BaNd2NiO5 is a stable, semiconducting quaternary oxide containing barium, neodymium, and nickel.
What is BaNd2NiO5 used for?
What is the band gap of BaNd2NiO5?
Is BaNd2NiO5 a metal, semiconductor, or insulator?
Is BaNd2NiO5 thermodynamically stable?
How many polymorphs of BaNd2NiO5 are known?
What elements does BaNd2NiO5 contain?
Where does the data for BaNd2NiO5 come from?
How It Compares
As a distinct member of the nickelate family, BaNd2NiO5 serves as a critical reference point for understanding how the inclusion of neodymium and barium influences the semiconducting behavior of the lattice compared to simpler nickel-based oxides.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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