CaReN3
CaReN3 is a thermodynamically stable, semiconducting ternary nitride compound containing calcium, rhenium, and nitrogen.
About CaReN3
CaReN3 is a distinct ternary nitride compound composed of calcium, rhenium, and nitrogen. It is characterized by a semiconducting electronic nature, positioning it as a material of interest for specialized electronic and optoelectronic research applications. Its thermodynamic stability on the convex hull suggests it is a robust phase under standard conditions, making it a reliable candidate for further experimental investigation.
With multiple reported structures across various databases, this compound represents a well-documented entry in the landscape of complex nitrides. Its unique elemental combination allows for structural configurations that are not commonly found in simpler binary systems, providing a platform for exploring the interplay between transition metals and alkaline earth elements in a nitrogen-rich framework.
Key Properties
Cross-validated computational properties for CaReN3, 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 CaReN3 is used.
Frequently Asked Questions
Common questions about CaReN3, answered from cross-validated data.
What is CaReN3?
CaReN3 is a thermodynamically stable, semiconducting ternary nitride compound containing calcium, rhenium, and nitrogen.
What is CaReN3 used for?
What is the band gap of CaReN3?
Is CaReN3 a metal, semiconductor, or insulator?
Is CaReN3 thermodynamically stable?
How many polymorphs of CaReN3 are known?
What elements does CaReN3 contain?
Where does the data for CaReN3 come from?
How It Compares
As a unique ternary nitride, CaReN3 serves as a foundational example of how transition metals like rhenium can be integrated into stable, semiconducting nitrogen-based frameworks. While it stands as a singular entry in this specific class, its thermodynamic stability provides a critical benchmark for comparing future synthetic nitrides that aim to balance electronic performance with structural integrity.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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