Ca4Li4N4
Ca4Li4N4 is a thermodynamically stable, semiconducting ternary nitride compound.
About Ca4Li4N4
Ca4Li4N4 is a complex nitride composed of calcium, lithium, and nitrogen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that is of significant interest for fundamental solid-state chemistry studies.
This material exhibits semiconducting electronic behavior, positioning it as a candidate for specialized electronic or optoelectronic applications. Its existence across multiple structural databases underscores its relevance as a well-characterized member of the ternary nitride family.
Key Properties
Cross-validated computational properties for Ca4Li4N4, 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 Ca4Li4N4 is used.
Frequently Asked Questions
Common questions about Ca4Li4N4, answered from cross-validated data.
What is Ca4Li4N4?
Ca4Li4N4 is a thermodynamically stable, semiconducting ternary nitride compound.
What is Ca4Li4N4 used for?
What is the band gap of Ca4Li4N4?
Is Ca4Li4N4 a metal, semiconductor, or insulator?
Is Ca4Li4N4 thermodynamically stable?
How many polymorphs of Ca4Li4N4 are known?
What elements does Ca4Li4N4 contain?
Where does the data for Ca4Li4N4 come from?
How It Compares
As a unique ternary nitride, Ca4Li4N4 occupies a distinct structural niche within the broader landscape of complex nitrides. Unlike more common binary nitrides, this compound demonstrates the stability achievable through the integration of alkaline earth and alkali metals within a nitrogen-rich framework.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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