Ba2Li1Na1
Ba2Li1Na1 is a semiconducting ternary intermetallic compound that exhibits structural complexity and thermodynamic metastability.
About Ba2Li1Na1
Ba2Li1Na1 is a complex ternary intermetallic compound composed of barium, lithium, and sodium. It exhibits semiconducting electronic character, positioning it as an interesting subject for fundamental research into the behavior of alkali and alkaline earth metal combinations.
Despite its structural diversity, with numerous reported configurations, the compound is characterized as being above the hull. This suggests that it is thermodynamically metastable, making it a challenging but intriguing target for synthesis and structural analysis within the broader landscape of metallic alloys.
Key Properties
Cross-validated computational properties for Ba2Li1Na1, aggregated across 2 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 Ba2Li1Na1, answered from cross-validated data.
What is Ba2Li1Na1?
Ba2Li1Na1 is a semiconducting ternary intermetallic compound that exhibits structural complexity and thermodynamic metastability.
What is the band gap of Ba2Li1Na1?
Is Ba2Li1Na1 a metal, semiconductor, or insulator?
Is Ba2Li1Na1 thermodynamically stable?
How many polymorphs of Ba2Li1Na1 are known?
What elements does Ba2Li1Na1 contain?
Where does the data for Ba2Li1Na1 come from?
How It Compares
As a unique ternary phase, Ba2Li1Na1 occupies a specialized niche in materials science where the interplay of large barium atoms with smaller alkali metals creates complex structural arrangements. Without direct structural siblings in this specific class, it serves as a representative example of how ternary systems can manifest diverse, albeit metastable, atomic configurations.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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