Li5ReN4

Li5ReN4 is a thermodynamically stable, semiconducting lithium rhenium nitride.

LiNRe
Crystal structure of Li5ReN4
Ground-state structure · Materials Project
Overview

About Li5ReN4

Li5ReN4 is a complex quaternary nitride featuring a combination of lithium, rhenium, and nitrogen. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system. Its electronic character is defined as semiconducting, making it an interesting subject for fundamental solid-state research. The compound has been identified across multiple structural databases, reflecting significant interest in its atomic configuration. It serves as a key example of how transition metals like rhenium can integrate into lithium-rich nitride frameworks to create stable, semiconducting materials. Its specific electronic properties offer potential pathways for exploring new functional materials in advanced energy or electronic applications.

At a glance

Key Properties

Cross-validated computational properties for Li5ReN4, aggregated across 3 databases.

Band Gap

2.85 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li5ReN4 is used.

Solid-state researchFundamental materials scienceSemiconductor development
Reference

Frequently Asked Questions

Common questions about Li5ReN4, answered from cross-validated data.

What is Li5ReN4?

Li5ReN4 is a thermodynamically stable, semiconducting lithium rhenium nitride.

More questions
What is Li5ReN4 used for?
Li5ReN4 is used in solid-state research, fundamental materials science, and semiconductor development.
What is the band gap of Li5ReN4?
Li5ReN4 has a DFT-computed band gap of 2.85 eV across 5 reported structures.
Is Li5ReN4 a metal, semiconductor, or insulator?
With a band gap up to 2.85 eV it is a semiconductor.
Is Li5ReN4 thermodynamically stable?
Yes — Li5ReN4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li5ReN4 are known?
5 structures of Li5ReN4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li5ReN4 contain?
Li5ReN4 contains Li, N, and Re (3 elements).
Where does the data for Li5ReN4 come from?
Li5ReN4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct member of the lithium-rhenium-nitrogen system, Li5ReN4 stands out for its thermodynamic stability and well-defined semiconducting nature. Unlike more volatile or metastable phases that might appear in this chemical space, this compound maintains a stable structural profile that makes it a primary candidate for studying the interplay between transition metal d-orbitals and nitrogen-based lattices.

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

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