Au1Ba2Bi1

Au1Ba2Bi1 is a stable semiconducting intermetallic compound composed of gold, barium, and bismuth.

AuBaBi
Crystal structure of Au1Ba2Bi1
Ground-state structure · Materials Project
Overview

About Au1Ba2Bi1

Au1Ba2Bi1 is a distinct intermetallic compound characterized by its semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within its chemical system.

This material is of significant interest to researchers studying complex ternary systems involving heavy elements. Its stability suggests potential for specialized applications where reliable electronic properties are required in solid-state devices.

At a glance

Key Properties

Cross-validated computational properties for Au1Ba2Bi1, aggregated across 2 databases.

Band Gap

0.42 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

27
2 databases, 14 space groups
Uses

Applications

Where Au1Ba2Bi1 is used.

Solid-state electronic researchFundamental materials science studies
Reference

Frequently Asked Questions

Common questions about Au1Ba2Bi1, answered from cross-validated data.

What is Au1Ba2Bi1?

Au1Ba2Bi1 is a stable semiconducting intermetallic compound composed of gold, barium, and bismuth.

More questions
What is Au1Ba2Bi1 used for?
Au1Ba2Bi1 is used in solid-state electronic research and fundamental materials science studies.
What is the band gap of Au1Ba2Bi1?
Au1Ba2Bi1 has a DFT-computed band gap of 0.42 eV across 27 reported structures.
Is Au1Ba2Bi1 a metal, semiconductor, or insulator?
With a band gap up to 0.42 eV it is a semiconductor.
Is Au1Ba2Bi1 thermodynamically stable?
Yes — Au1Ba2Bi1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Au1Ba2Bi1 are known?
27 structures of Au1Ba2Bi1 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Au1Ba2Bi1 contain?
Au1Ba2Bi1 contains Au, Ba, and Bi (3 elements).
Where does the data for Au1Ba2Bi1 come from?
Au1Ba2Bi1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Au1Ba2Bi1 serves as a foundational reference point for understanding the interplay between gold, barium, and bismuth in solid-state chemistry. Its position on the convex hull distinguishes it as a highly stable structural arrangement compared to metastable phases that may appear in similar elemental combinations.

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

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