BaGaH5
BaGaH5 is a stable, insulating complex hydride composed of barium, gallium, and hydrogen.
About BaGaH5
BaGaH5 is a complex hydride characterized by its wide-band-gap insulating electronic nature. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within the barium-gallium-hydrogen chemical system.
This material is of significant interest in the study of solid-state hydrogen storage and ionic conductors. Its stability profile suggests potential utility in applications requiring stable, insulating hydride frameworks that can manage hydrogen density effectively.
Key Properties
Cross-validated computational properties for BaGaH5, 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 BaGaH5 is used.
Frequently Asked Questions
Common questions about BaGaH5, answered from cross-validated data.
What is BaGaH5?
BaGaH5 is a stable, insulating complex hydride composed of barium, gallium, and hydrogen.
What is BaGaH5 used for?
What is the band gap of BaGaH5?
Is BaGaH5 a metal, semiconductor, or insulator?
Is BaGaH5 thermodynamically stable?
How many polymorphs of BaGaH5 are known?
What elements does BaGaH5 contain?
Where does the data for BaGaH5 come from?
How It Compares
As a distinct hydride phase, BaGaH5 serves as a foundational example of stable ternary complex hydrides, demonstrating how barium and gallium can organize into a thermodynamically favored structure that maintains insulating electronic properties.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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