Ba2Hg1Li1
Ba2Hg1Li1 is a semiconducting ternary intermetallic compound consisting of barium, mercury, and lithium.

About Ba2Hg1Li1
Ba2Hg1Li1 is a complex ternary intermetallic compound composed of barium, mercury, and lithium. It exhibits semiconducting electronic behavior, which distinguishes it from typical metallic alloys and positions it as an intriguing candidate for specialized solid-state research.
Due to its position above the thermodynamic hull, this material is considered metastable under standard conditions. Its existence in structural databases highlights the diversity of phases possible in alkali-alkaline earth-mercury systems, providing valuable data for predictive materials modeling.
Key Properties
Cross-validated computational properties for Ba2Hg1Li1, 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 Ba2Hg1Li1, answered from cross-validated data.
What is Ba2Hg1Li1?
Ba2Hg1Li1 is a semiconducting ternary intermetallic compound consisting of barium, mercury, and lithium.
What is the band gap of Ba2Hg1Li1?
Is Ba2Hg1Li1 a metal, semiconductor, or insulator?
Is Ba2Hg1Li1 thermodynamically stable?
How many polymorphs of Ba2Hg1Li1 are known?
What elements does Ba2Hg1Li1 contain?
Where does the data for Ba2Hg1Li1 come from?
How It Compares
As a unique ternary phase, Ba2Hg1Li1 represents a distinct structural arrangement within the broader landscape of mercury-containing intermetallics. It serves as a specific case study in how the combination of heavy alkaline earth metals and alkali elements can influence the electronic properties of mercury-based compounds.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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