Nb2TaTi

Nb2TaTi is a semimetallic ternary intermetallic alloy composed of transition metals.

NbTaTi
Crystal structure of Nb2TaTi
Ground-state structure · Materials Project
Overview

About Nb2TaTi

Nb2TaTi is a complex ternary intermetallic compound composed of niobium, tantalum, and titanium. Its electronic character is defined as a near-zero-gap semimetal, placing it in a unique position between metallic conductors and semiconductors.

Due to its position above the thermodynamic hull, this material is considered metastable, which presents challenges for synthesis and long-term structural integrity. Despite this, it remains a subject of interest for researchers investigating the phase stability of refractory metal alloys.

At a glance

Key Properties

Cross-validated computational properties for Nb2TaTi, aggregated across 3 databases.

Band Gap

0.10 eV
Range across DFT structures

Energy Above Hull

4.424 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

4
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about Nb2TaTi, answered from cross-validated data.

What is Nb2TaTi?

Nb2TaTi is a semimetallic ternary intermetallic alloy composed of transition metals.

More questions
What is the band gap of Nb2TaTi?
Nb2TaTi has a DFT-computed band gap of 0.10 eV across 4 reported structures.
Is Nb2TaTi a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Nb2TaTi thermodynamically stable?
Nb2TaTi has a lowest energy above hull of 4.424 eV/atom (above hull).
How many polymorphs of Nb2TaTi are known?
4 structures of Nb2TaTi are reported across 3 databases, spanning 2 distinct space groups.
What elements does Nb2TaTi contain?
Nb2TaTi contains Nb, Ta, and Ti (3 elements).
Where does the data for Nb2TaTi come from?
Nb2TaTi data is cross-referenced from latticegraph.
Comparison

How It Compares

As a ternary intermetallic, Nb2TaTi represents a specific compositional point within the broader landscape of refractory metal systems. Without direct structural siblings in this specific class, it serves as a distinct case study for how the combination of niobium, tantalum, and titanium influences electronic density near the Fermi level.

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

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