Ni2Ta1Zn1

Ni2Ta1Zn1 is a semiconducting ternary compound containing nickel, tantalum, and zinc that exists in a metastable state.

NiTaZn
Crystal structure of Ni2Ta1Zn1
Ground-state structure · Materials Project
Overview

About Ni2Ta1Zn1

Ni2Ta1Zn1 is a complex ternary compound composed of nickel, tantalum, and zinc. As a semiconducting material, it represents a unique intersection of transition metal chemistry, offering potential for specialized electronic applications where specific band characteristics are required. The compound is characterized by a significant number of reported structural variations, indicating a complex energy landscape. Because it exists above the thermodynamic hull, it is considered a metastable phase that requires precise synthesis conditions to stabilize its structure for experimental investigation.

At a glance

Key Properties

Cross-validated computational properties for Ni2Ta1Zn1, aggregated across 2 databases.

Band Gap

0.25 eV
Range across DFT structures

Energy Above Hull

2.980 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 17 space groups
Uses

Applications

Where Ni2Ta1Zn1 is used.

Fundamental materials researchSemiconductor development studiesSolid-state chemistry exploration
Reference

Frequently Asked Questions

Common questions about Ni2Ta1Zn1, answered from cross-validated data.

What is Ni2Ta1Zn1?

Ni2Ta1Zn1 is a semiconducting ternary compound containing nickel, tantalum, and zinc that exists in a metastable state.

More questions
What is Ni2Ta1Zn1 used for?
Ni2Ta1Zn1 is used in fundamental materials research, semiconductor development studies, and solid-state chemistry exploration.
What is the band gap of Ni2Ta1Zn1?
Ni2Ta1Zn1 has a DFT-computed band gap of 0.25 eV across 27 reported structures.
Is Ni2Ta1Zn1 a metal, semiconductor, or insulator?
With a band gap up to 0.25 eV it is a semiconductor.
Is Ni2Ta1Zn1 thermodynamically stable?
Ni2Ta1Zn1 has a lowest energy above hull of 2.980 eV/atom (above hull).
How many polymorphs of Ni2Ta1Zn1 are known?
27 structures of Ni2Ta1Zn1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Ni2Ta1Zn1 contain?
Ni2Ta1Zn1 contains Ni, Ta, and Zn (3 elements).
Where does the data for Ni2Ta1Zn1 come from?
Ni2Ta1Zn1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ni2Ta1Zn1 serves as a distinct entry in the study of nickel-tantalum-zinc systems. While it lacks direct structural siblings in this specific grouping, its semiconducting nature and metastable status position it as a subject of interest for researchers exploring non-equilibrium synthesis pathways in intermetallic compounds.

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

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