Ca2Li6Mn2N6
Ca2Li6Mn2N6 is a thermodynamically stable, semimetallic quaternary nitride composed of calcium, lithium, manganese, and nitrogen.
About Ca2Li6Mn2N6
Ca2Li6Mn2N6 is a complex quaternary nitride characterized by its near-zero-gap electronic structure. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of calcium, lithium, manganese, and nitrogen atoms within the solid state.
This material is of significant interest to researchers investigating the electronic properties of transition-metal-doped nitrides. Its stability suggests potential for synthesis and further exploration in advanced electronic or energy-related applications where semimetallic behavior is advantageous.
Key Properties
Cross-validated computational properties for Ca2Li6Mn2N6, 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 Ca2Li6Mn2N6 is used.
Frequently Asked Questions
Common questions about Ca2Li6Mn2N6, answered from cross-validated data.
What is Ca2Li6Mn2N6?
Ca2Li6Mn2N6 is a thermodynamically stable, semimetallic quaternary nitride composed of calcium, lithium, manganese, and nitrogen.
What is Ca2Li6Mn2N6 used for?
What is the band gap of Ca2Li6Mn2N6?
Is Ca2Li6Mn2N6 a metal, semiconductor, or insulator?
Is Ca2Li6Mn2N6 thermodynamically stable?
How many polymorphs of Ca2Li6Mn2N6 are known?
What elements does Ca2Li6Mn2N6 contain?
Where does the data for Ca2Li6Mn2N6 come from?
How It Compares
As a distinct quaternary nitride, Ca2Li6Mn2N6 occupies a unique niche in materials research. Without direct structural siblings in its immediate class, it serves as a foundational example of how combining alkaline earth metals, alkali metals, and transition metals with nitrogen can yield stable, semimetallic architectures.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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