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Related Experiment Video

Updated: Jun 26, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

Published on: June 7, 2018

A stable superatomic nitrogen ring crystal under ambient conditions.

Zhen Gong¹, Baiqiang Liu¹, Famin Yu^1,2

¹Key Laboratory of Material Simulation Methods & Software of Ministry of Education, College of Physics, Jilin University, Changchun 130012, China.

Science Advances

|June 24, 2026

Summary

Researchers synthesized a stable high-nitrogen crystal, lithium tetranitrogen (Li4(N5)2), under ambient conditions. This breakthrough advances the development of novel high-energy-density materials from nitrogen ring structures.

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Area of Science:

Materials Science
Inorganic Chemistry
Computational Chemistry

Background:

Pentazolate anion (N5-) nitrogen ring structures are promising for high-energy-density materials.
Synthesizing stable nitrogen-rich crystals under ambient conditions remains a significant challenge.

Purpose of the Study:

To report the discovery and characterization of a stable polynitrogen crystal under ambient conditions.
To investigate the structural stability and bonding mechanisms of the novel compound.

Main Methods:

Employed first-principles computational studies, including structural and dynamic simulations.
Analyzed electron transfer, ionic interactions, and van der Waals forces within the crystal structure.

Main Results:

Successfully synthesized and characterized a stable polynitrogen crystal, Li4(N5)2, at ambient conditions.
Observed electron transfer from Li to N5 rings, forming anionic N5- in a superatomic state.
Identified combined Li-N5 ionic and N5-N5 van der Waals interactions stabilizing the crystal structure with anisotropic properties.

Conclusions:

The study presents a stable ambient-condition polynitrogen crystal, Li4(N5)2.
Findings provide a crucial foundation for designing advanced high-energy-density materials based on nitrogen ring chemistry.
Offers insights into artificial crystallization pathways for novel nitrogen-rich compounds.