Ba2FeN2
Ba2FeN2 is a semiconducting ternary nitride that is currently considered thermodynamically unstable.
About Ba2FeN2
Ba2FeN2 is a ternary nitride compound composed of barium, iron, and nitrogen. It exhibits semiconducting electronic characteristics, placing it in a category of materials often investigated for specialized optoelectronic or magnetic applications.
While the compound has been identified across multiple structural databases, it is currently characterized as being thermodynamically above the hull. This suggests that it may be metastable under standard conditions, requiring specific synthesis pathways to stabilize its structure.
Key Properties
Cross-validated computational properties for Ba2FeN2, 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 Ba2FeN2, answered from cross-validated data.
What is Ba2FeN2?
Ba2FeN2 is a semiconducting ternary nitride that is currently considered thermodynamically unstable.
What is the band gap of Ba2FeN2?
Is Ba2FeN2 a metal, semiconductor, or insulator?
Is Ba2FeN2 thermodynamically stable?
How many polymorphs of Ba2FeN2 are known?
What elements does Ba2FeN2 contain?
Where does the data for Ba2FeN2 come from?
How It Compares
As a unique ternary nitride, Ba2FeN2 represents a distinct point in the chemical space of barium-iron-nitrogen systems. Without direct structural siblings in this specific class, it serves as a critical reference point for understanding the stability and electronic behavior of iron-based nitrides that deviate from conventional ground-state configurations.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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