LiCuBO3
LiCuBO3 is a metastable, semimetallic lithium copper borate compound characterized by a diverse range of structural possibilities.
About LiCuBO3
LiCuBO3 is a complex quaternary borate that exhibits near-zero-gap electronic behavior, placing it in the category of semimetallic materials. Its unique composition of lithium, copper, boron, and oxygen creates a distinct electronic environment that is of interest for fundamental solid-state research. The compound is characterized by a notable structural diversity, with numerous reported configurations across various databases. Because it resides above the thermodynamic hull, it is considered a metastable phase, which highlights the complexity of its synthesis and the potential for specialized processing conditions to stabilize its structure.
Key Properties
Cross-validated computational properties for LiCuBO3, 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.
Frequently Asked Questions
Common questions about LiCuBO3, answered from cross-validated data.
What is LiCuBO3?
LiCuBO3 is a metastable, semimetallic lithium copper borate compound characterized by a diverse range of structural possibilities.
What is the band gap of LiCuBO3?
Is LiCuBO3 a metal, semiconductor, or insulator?
Is LiCuBO3 thermodynamically stable?
How many polymorphs of LiCuBO3 are known?
What elements does LiCuBO3 contain?
Where does the data for LiCuBO3 come from?
How It Compares
As a semimetallic borate, LiCuBO3 occupies a unique niche within inorganic chemistry. While many borates are known for their insulating properties, this compound stands out due to its narrow electronic gap, representing an intriguing case study in how transition metals like copper can influence the electronic landscape of a borate framework.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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