Hf1Hg2Sc1

Hf1Hg2Sc1 is a semiconducting ternary compound consisting of hafnium, mercury, and scandium that is primarily studied for its structural complexity.

HfHgSc
Crystal structure of Hf1Hg2Sc1
Ground-state structure · Materials Project
Overview

About Hf1Hg2Sc1

Hf1Hg2Sc1 is a ternary intermetallic compound composed of hafnium, mercury, and scandium. It exhibits semiconducting electronic character, positioning it as an interesting subject for fundamental research into complex metallic systems.

Due to its position above the thermodynamic hull, this material is considered likely unstable under standard conditions. Despite this, it has been the subject of significant structural investigation, with multiple configurations reported in materials databases.

At a glance

Key Properties

Cross-validated computational properties for Hf1Hg2Sc1, aggregated across 2 databases.

Band Gap

0.16 eV
Range across DFT structures

Energy Above Hull

2.495 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 17 space groups
Reference

Frequently Asked Questions

Common questions about Hf1Hg2Sc1, answered from cross-validated data.

What is Hf1Hg2Sc1?

Hf1Hg2Sc1 is a semiconducting ternary compound consisting of hafnium, mercury, and scandium that is primarily studied for its structural complexity.

More questions
What is the band gap of Hf1Hg2Sc1?
Hf1Hg2Sc1 has a DFT-computed band gap of 0.16 eV across 27 reported structures.
Is Hf1Hg2Sc1 a metal, semiconductor, or insulator?
With a band gap up to 0.16 eV it is a semiconductor.
Is Hf1Hg2Sc1 thermodynamically stable?
Hf1Hg2Sc1 has a lowest energy above hull of 2.495 eV/atom (above hull).
How many polymorphs of Hf1Hg2Sc1 are known?
27 structures of Hf1Hg2Sc1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Hf1Hg2Sc1 contain?
Hf1Hg2Sc1 contains Hf, Hg, and Sc (3 elements).
Where does the data for Hf1Hg2Sc1 come from?
Hf1Hg2Sc1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Hf1Hg2Sc1 represents a specialized case within the broader landscape of hafnium-mercury-scandium chemistry, serving as a data point for understanding the structural diversity of complex intermetallics.

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

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