TaSN

TaSN is a semiconducting ternary compound of tantalum, sulfur, and nitrogen that is currently the subject of structural research.

NSTa
Crystal structure of TaSN
Ground-state structure · Materials Project
Overview

About TaSN

TaSN is a complex ternary compound composed of tantalum, sulfur, and nitrogen. As a semiconducting material, it represents a specialized area of inorganic chemistry where the interplay of chalcogen and pnictogen elements creates distinct electronic environments.

While the compound is currently identified as being above the thermodynamic hull, its existence across multiple structural databases highlights its significance in exploratory materials science. Researchers investigate such phases to better understand the stability limits and potential bonding configurations of transition metal nitridosulfides.

At a glance

Key Properties

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

Band Gap

0.46 eV
Range across DFT structures

Energy Above Hull

0.147 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

10
3 databases, 4 space groups
Uses

Applications

Where TaSN is used.

Fundamental materials science researchExploratory solid-state chemistry
Reference

Frequently Asked Questions

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

What is TaSN?

TaSN is a semiconducting ternary compound of tantalum, sulfur, and nitrogen that is currently the subject of structural research.

More questions
What is TaSN used for?
TaSN is used in fundamental materials science research and exploratory solid-state chemistry.
What is the band gap of TaSN?
TaSN has a DFT-computed band gap of 0.46 eV across 10 reported structures.
Is TaSN a metal, semiconductor, or insulator?
With a band gap up to 0.46 eV it is a semiconductor.
Is TaSN thermodynamically stable?
TaSN has a lowest energy above hull of 0.147 eV/atom (above hull).
How many polymorphs of TaSN are known?
10 structures of TaSN are reported across 3 databases, spanning 4 distinct space groups.
What elements does TaSN contain?
TaSN contains N, S, and Ta (3 elements).
Where does the data for TaSN come from?
TaSN data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, TaSN serves as a focal point for understanding the structural diversity of tantalum-based systems. Without established siblings in this specific class, it stands as a singular example of how nitrogen and sulfur can be integrated into a transition metal lattice, providing a baseline for future computational and experimental exploration of similar metastable frameworks.

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

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