Nb1Ta2W1

Nb1Ta2W1 is a complex, semimetallic intermetallic compound composed of niobium, tantalum, and tungsten that exhibits a wide variety of structural configurations.

NbTaW
Crystal structure of Nb1Ta2W1
Ground-state structure · Materials Project
Overview

About Nb1Ta2W1

Nb1Ta2W1 is a complex intermetallic compound composed of niobium, tantalum, and tungsten. Characterized as a near-zero-gap semimetallic material, it exhibits electronic properties that bridge the gap between traditional metals and semiconductors, making it a subject of interest for fundamental solid-state physics research.

While the compound is currently identified as being above the thermodynamic hull, its structural diversity is notable, with numerous reported configurations across crystallographic databases. This suggests a complex energy landscape that warrants further investigation into its potential for metastable phase synthesis and specialized materials engineering.

At a glance

Key Properties

Cross-validated computational properties for Nb1Ta2W1, aggregated across 2 databases.

Band Gap

0.10 eV
Range across DFT structures

Energy Above Hull

5.129 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 15 space groups
Uses

Applications

Where Nb1Ta2W1 is used.

Fundamental materials science researchSolid-state physics studiesAlloy development
Reference

Frequently Asked Questions

Common questions about Nb1Ta2W1, answered from cross-validated data.

What is Nb1Ta2W1?

Nb1Ta2W1 is a complex, semimetallic intermetallic compound composed of niobium, tantalum, and tungsten that exhibits a wide variety of structural configurations.

More questions
What is Nb1Ta2W1 used for?
Nb1Ta2W1 is used in fundamental materials science research, solid-state physics studies, and alloy development.
What is the band gap of Nb1Ta2W1?
Nb1Ta2W1 has a DFT-computed band gap of 0.10 eV across 27 reported structures.
Is Nb1Ta2W1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Nb1Ta2W1 thermodynamically stable?
Nb1Ta2W1 has a lowest energy above hull of 5.129 eV/atom (above hull).
How many polymorphs of Nb1Ta2W1 are known?
27 structures of Nb1Ta2W1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Nb1Ta2W1 contain?
Nb1Ta2W1 contains Nb, Ta, and W (3 elements).
Where does the data for Nb1Ta2W1 come from?
Nb1Ta2W1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary combination of refractory transition metals, Nb1Ta2W1 represents a specialized case within the broader family of niobium-tantalum-tungsten alloys. Unlike more common binary systems, this compound highlights the intricate structural possibilities that arise when balancing the electronic contributions of these three heavy transition elements.

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

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