Ba16In16Se40
Ba16In16Se40 is a semiconducting barium indium selenide compound characterized by its near-hull thermodynamic stability.
About Ba16In16Se40
Ba16In16Se40 is a complex chalcogenide compound composed of barium, indium, and selenium. Its electronic character identifies it as a semiconductor, positioning it as a material of interest for potential optoelectronic or thermoelectric applications where specific band structures are required for performance.
As a near-hull material, this compound occupies a favorable thermodynamic position that suggests it is likely synthesizable under controlled laboratory conditions. Its structural complexity and the presence of multiple reported configurations across databases highlight its significance in the ongoing exploration of ternary and quaternary chalcogenide phase spaces.
Key Properties
Cross-validated computational properties for Ba16In16Se40, 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 Ba16In16Se40 is used.
Frequently Asked Questions
Common questions about Ba16In16Se40, answered from cross-validated data.
What is Ba16In16Se40?
Ba16In16Se40 is a semiconducting barium indium selenide compound characterized by its near-hull thermodynamic stability.
What is Ba16In16Se40 used for?
What is the band gap of Ba16In16Se40?
Is Ba16In16Se40 a metal, semiconductor, or insulator?
Is Ba16In16Se40 thermodynamically stable?
How many polymorphs of Ba16In16Se40 are known?
What elements does Ba16In16Se40 contain?
Where does the data for Ba16In16Se40 come from?
How It Compares
As a specialized chalcogenide, Ba16In16Se40 represents a unique structural arrangement within the broader family of barium-indium-selenium compounds. While it lacks direct siblings in this specific dataset, it serves as an important benchmark for understanding how complex stoichiometry influences thermodynamic stability and semiconducting behavior in multinary systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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