CaRuN2

CaRuN2 is a semimetallic ternary nitride compound characterized by its metastable nature and complex structural landscape.

CaNRu
Crystal structure of CaRuN2
Ground-state structure · Materials Project
Overview

About CaRuN2

CaRuN2 is a complex ternary nitride composed of calcium, ruthenium, and nitrogen. Its electronic structure is characterized as near-zero-gap, placing it in the regime of semimetallic materials which often exhibit unique transport properties useful in specialized electronic research.

Due to its position above the thermodynamic hull, this compound is considered metastable, representing a challenging synthetic target. The existence of multiple reported structures across various databases highlights its significance as a subject of ongoing investigation in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for CaRuN2, aggregated across 3 databases.

Band Gap

0.05 eV
Range across DFT structures

Energy Above Hull

0.147 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

12
3 databases, 5 space groups
Uses

Applications

Where CaRuN2 is used.

Solid-state researchElectronic property investigationMaterials science exploration
Reference

Frequently Asked Questions

Common questions about CaRuN2, answered from cross-validated data.

What is CaRuN2?

CaRuN2 is a semimetallic ternary nitride compound characterized by its metastable nature and complex structural landscape.

More questions
What is CaRuN2 used for?
CaRuN2 is used in solid-state research, electronic property investigation, and materials science exploration.
What is the band gap of CaRuN2?
CaRuN2 has a DFT-computed band gap of 0.05 eV across 12 reported structures.
Is CaRuN2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is CaRuN2 thermodynamically stable?
CaRuN2 has a lowest energy above hull of 0.147 eV/atom (above hull).
How many polymorphs of CaRuN2 are known?
12 structures of CaRuN2 are reported across 3 databases, spanning 5 distinct space groups.
What elements does CaRuN2 contain?
CaRuN2 contains Ca, N, and Ru (3 elements).
Where does the data for CaRuN2 come from?
CaRuN2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a ternary nitride, CaRuN2 occupies a niche space in materials science where the interplay between transition metal d-orbitals and nitrogen anions dictates its electronic behavior. Unlike more conventional stable insulators, its semimetallic nature makes it a distinct candidate for studying electron correlation effects in complex nitrides.

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

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