Au2Hf1Y1

Au2Hf1Y1 is a semiconducting ternary intermetallic compound that exhibits structural diversity while remaining in a metastable state.

AuHfY
Crystal structure of Au2Hf1Y1
Ground-state structure · Materials Project
Overview

About Au2Hf1Y1

Au2Hf1Y1 is a ternary intermetallic compound characterized by its semiconducting electronic nature. Its structural landscape is notably diverse, with numerous reported configurations identified across crystallographic databases.

While the compound exhibits interesting electronic properties, it sits at an energy level above the thermodynamic hull. This suggests that the material is likely metastable, requiring specific synthesis conditions to stabilize its structure for potential research applications.

At a glance

Key Properties

Cross-validated computational properties for Au2Hf1Y1, aggregated across 2 databases.

Band Gap

0.11 eV
Range across DFT structures

Energy Above Hull

2.781 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 15 space groups
Reference

Frequently Asked Questions

Common questions about Au2Hf1Y1, answered from cross-validated data.

What is Au2Hf1Y1?

Au2Hf1Y1 is a semiconducting ternary intermetallic compound that exhibits structural diversity while remaining in a metastable state.

More questions
What is the band gap of Au2Hf1Y1?
Au2Hf1Y1 has a DFT-computed band gap of 0.11 eV across 27 reported structures.
Is Au2Hf1Y1 a metal, semiconductor, or insulator?
With a band gap up to 0.11 eV it is a semiconductor.
Is Au2Hf1Y1 thermodynamically stable?
Au2Hf1Y1 has a lowest energy above hull of 2.781 eV/atom (above hull).
How many polymorphs of Au2Hf1Y1 are known?
27 structures of Au2Hf1Y1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Au2Hf1Y1 contain?
Au2Hf1Y1 contains Au, Hf, and Y (3 elements).
Where does the data for Au2Hf1Y1 come from?
Au2Hf1Y1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary intermetallic phase, Au2Hf1Y1 represents a specialized area of study within complex metallic systems. Unlike simpler binary alloys, this compound's multi-element composition offers a distinct electronic profile, though its position relative to the thermodynamic ground state highlights the challenges inherent in synthesizing such intricate intermetallic phases.

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

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