BaHfN2
BaHfN2 is a thermodynamically stable semiconducting ternary nitride compound.
About BaHfN2
BaHfN2 is a complex ternary nitride that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined as semiconducting, making it an intriguing candidate for specialized solid-state applications where stable, non-metallic behavior is required.
Given its presence across multiple structural databases, this compound serves as a point of interest for researchers studying the synthesis and stability of barium-hafnium-nitrogen systems. Its stable nature suggests potential for durability in demanding technological environments.
Key Properties
Cross-validated computational properties for BaHfN2, aggregated across 4 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 BaHfN2 is used.
Frequently Asked Questions
Common questions about BaHfN2, answered from cross-validated data.
What is BaHfN2?
BaHfN2 is a thermodynamically stable semiconducting ternary nitride compound.
What is BaHfN2 used for?
What is the band gap of BaHfN2?
Is BaHfN2 a metal, semiconductor, or insulator?
Is BaHfN2 thermodynamically stable?
How many polymorphs of BaHfN2 are known?
What elements does BaHfN2 contain?
Where does the data for BaHfN2 come from?
Related Research
How It Compares
As a member of the ternary nitride family, BaHfN2 represents a stable semiconducting configuration within its chemical space. While it does not share its class with other specific compounds in this context, it stands as a robust example of how heavy alkaline earth metals and transition metals can form stable, semiconducting nitride frameworks.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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