NaCrN

NaCrN is a semimetallic ternary nitride compound that is characterized by its metastable nature and structural complexity.

CrNNa
Crystal structure of NaCrN
Ground-state structure · Materials Project
Overview

About NaCrN

NaCrN is a ternary nitride compound composed of sodium, chromium, and nitrogen. It exhibits a semimetallic electronic character, placing it in a unique position between traditional insulators and metallic conductors.

Due to its position above the thermodynamic hull, this material is considered metastable, representing a challenging synthetic target. It remains a subject of interest for researchers investigating the complex phase space of transition metal nitrides.

At a glance

Key Properties

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

Band Gap

0.08 eV
Range across DFT structures

Energy Above Hull

0.338 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

6
3 databases, 2 space groups
Reference

Frequently Asked Questions

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

What is NaCrN?

NaCrN is a semimetallic ternary nitride compound that is characterized by its metastable nature and structural complexity.

More questions
What is the band gap of NaCrN?
NaCrN has a DFT-computed band gap of 0.08 eV across 6 reported structures.
Is NaCrN a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is NaCrN thermodynamically stable?
NaCrN has a lowest energy above hull of 0.338 eV/atom (above hull).
How many polymorphs of NaCrN are known?
6 structures of NaCrN are reported across 3 databases, spanning 2 distinct space groups.
What elements does NaCrN contain?
NaCrN contains Cr, N, and Na (3 elements).
Where does the data for NaCrN come from?
NaCrN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the ternary nitride family, NaCrN occupies a niche role where its semimetallic nature distinguishes it from more common wide-gap insulating nitrides. While it lacks direct structural siblings in this context, its status as an above-hull phase highlights the inherent difficulty in stabilizing specific transition metal-nitrogen bonding environments.

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

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