HfScTc2

HfScTc2 is a metastable semimetallic ternary compound composed of hafnium, scandium, and technetium.

HfScTc
Crystal structure of HfScTc2
Ground-state structure · Materials Project
Overview

About HfScTc2

HfScTc2 is a complex ternary intermetallic compound composed of hafnium, scandium, and technetium. It exhibits a near-zero-gap electronic structure, placing it in the category of semimetallic materials that often display intriguing transport properties due to the proximity of the valence and conduction bands.

As a metastable phase, this material represents a specific configuration of these transition metals that is not the most thermodynamically favored state. Its existence across multiple structural databases highlights its significance in fundamental materials research, where understanding the formation of such complex phases is essential for advancing solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for HfScTc2, aggregated across 3 databases.

Band Gap

0.09 eV
Range across DFT structures

Energy Above Hull

0.079 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about HfScTc2, answered from cross-validated data.

What is HfScTc2?

HfScTc2 is a metastable semimetallic ternary compound composed of hafnium, scandium, and technetium.

More questions
What is the band gap of HfScTc2?
HfScTc2 has a DFT-computed band gap of 0.09 eV across 5 reported structures.
Is HfScTc2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is HfScTc2 thermodynamically stable?
HfScTc2 has a lowest energy above hull of 0.079 eV/atom (metastable).
How many polymorphs of HfScTc2 are known?
5 structures of HfScTc2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does HfScTc2 contain?
HfScTc2 contains Hf, Sc, and Tc (3 elements).
Where does the data for HfScTc2 come from?
HfScTc2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary intermetallic, HfScTc2 occupies a specialized niche in materials science. Unlike more common binary transition metal alloys, this compound demonstrates the complex structural possibilities that arise when combining heavy refractory elements with scandium, serving as a distinct example of metastable phase formation in multi-element systems.

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

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