BaVN2

BaVN2 is a thermodynamically stable semiconducting ternary nitride compound.

BaNV
Crystal structure of BaVN2
Ground-state structure · Materials Project
Overview

About BaVN2

BaVN2 is a complex ternary nitride that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined as semiconducting, making it a subject of interest for researchers investigating new functional materials in the nitride family. The compound is supported by multiple reported structures across major databases, highlighting its significance in solid-state chemistry. It serves as a building block for exploring the interplay between barium, vanadium, and nitrogen in crystalline lattices. Its stable nature provides a reliable foundation for further experimental and computational characterization in materials science.

At a glance

Key Properties

Cross-validated computational properties for BaVN2, aggregated across 3 databases.

Band Gap

0.15–1.56 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where BaVN2 is used.

Semiconductor researchSolid-state chemistryMaterials science exploration
Reference

Frequently Asked Questions

Common questions about BaVN2, answered from cross-validated data.

What is BaVN2?

BaVN2 is a thermodynamically stable semiconducting ternary nitride compound.

More questions
What is BaVN2 used for?
BaVN2 is used in semiconductor research, solid-state chemistry, and materials science exploration.
What is the band gap of BaVN2?
BaVN2 has a DFT-computed band gap of 0.15–1.56 eV across 6 reported structures.
Is BaVN2 a metal, semiconductor, or insulator?
With a band gap up to 1.56 eV it is a semiconductor.
Is BaVN2 thermodynamically stable?
Yes — BaVN2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BaVN2 are known?
6 structures of BaVN2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does BaVN2 contain?
BaVN2 contains Ba, N, and V (3 elements).
Where does the data for BaVN2 come from?
BaVN2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the ternary nitride class, BaVN2 occupies a distinct position due to its inherent thermodynamic stability and semiconducting behavior. While many nitrides are difficult to synthesize or characterize, this compound is well-represented in existing structural databases, providing a robust reference point for understanding the electronic properties of transition metal-based nitrides.

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

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