NaLi2N

NaLi2N is a metastable semiconducting ternary nitride composed of lithium, sodium, and nitrogen.

LiNNa
Crystal structure of NaLi2N
Ground-state structure · Materials Project
Overview

About NaLi2N

NaLi2N is a complex ternary nitride composed of lithium, sodium, and nitrogen. As a semiconducting material, it represents a unique intersection of alkali metal chemistry and nitrogen-based frameworks, offering a distinct electronic profile for exploratory solid-state research. The compound is characterized by its metastable nature, which makes it a subject of significant interest for researchers studying phase stability and synthesis pathways. Its structural diversity is highlighted by multiple reported configurations across various databases, underscoring its complexity.

At a glance

Key Properties

Cross-validated computational properties for NaLi2N, aggregated across 3 databases.

Band Gap

2.13 eV
Range across DFT structures

Energy Above Hull

0.064 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
3 databases, 2 space groups
Uses

Applications

Where NaLi2N is used.

Solid-state researchMaterials science explorationFundamental electronic property studies
Reference

Frequently Asked Questions

Common questions about NaLi2N, answered from cross-validated data.

What is NaLi2N?

NaLi2N is a metastable semiconducting ternary nitride composed of lithium, sodium, and nitrogen.

More questions
What is NaLi2N used for?
NaLi2N is used in solid-state research, materials science exploration, and fundamental electronic property studies.
What is the band gap of NaLi2N?
NaLi2N has a DFT-computed band gap of 2.13 eV across 9 reported structures.
Is NaLi2N a metal, semiconductor, or insulator?
With a band gap up to 2.13 eV it is a semiconductor.
Is NaLi2N thermodynamically stable?
NaLi2N has a lowest energy above hull of 0.064 eV/atom (metastable).
How many polymorphs of NaLi2N are known?
9 structures of NaLi2N are reported across 3 databases, spanning 2 distinct space groups.
What elements does NaLi2N contain?
NaLi2N contains Li, N, and Na (3 elements).
Where does the data for NaLi2N come from?
NaLi2N data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized ternary nitride, NaLi2N occupies a niche position in materials science where its metastability and semiconducting behavior distinguish it from more conventional, highly stable binary nitrides.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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