BaCaTl2
BaCaTl2 is a semimetallic ternary compound of barium, calcium, and thallium that exists in a metastable state.
About BaCaTl2
BaCaTl2 is an inorganic ternary compound composed of barium, calcium, and thallium. It exhibits semimetallic electronic character, placing it in a regime where conductive properties are highly sensitive to its specific atomic arrangement.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its existence across multiple reported structures highlights the complexity of its phase space and the challenges associated with its synthesis and characterization.
Key Properties
Cross-validated computational properties for BaCaTl2, 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 BaCaTl2, answered from cross-validated data.
What is BaCaTl2?
BaCaTl2 is a semimetallic ternary compound of barium, calcium, and thallium that exists in a metastable state.
What is the band gap of BaCaTl2?
Is BaCaTl2 a metal, semiconductor, or insulator?
Is BaCaTl2 thermodynamically stable?
How many polymorphs of BaCaTl2 are known?
What elements does BaCaTl2 contain?
Where does the data for BaCaTl2 come from?
How It Compares
As a unique ternary phase within this chemical system, BaCaTl2 represents a distinct structural configuration that does not have direct, well-documented structural siblings in this specific grouping. Its role is that of an exploratory material that provides insight into the bonding interactions between alkaline earth metals and thallium.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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