Au2Ba1K1

Au2Ba1K1 is a semiconducting ternary intermetallic compound containing gold, barium, and potassium that exhibits metastable characteristics.

AuBaK
Crystal structure of Au2Ba1K1
Ground-state structure · Materials Project
Overview

About Au2Ba1K1

Au2Ba1K1 is a complex ternary intermetallic compound composed of gold, barium, and potassium. As a semiconducting material, it represents a unique intersection of noble metal and alkaline earth chemistry, drawing interest from researchers investigating unconventional electronic behaviors in multi-element systems.

Despite its existence in structural databases, this compound is characterized by its position above the thermodynamic hull, suggesting it is a metastable phase. Its study is primarily focused on understanding the synthesis conditions required to stabilize such intricate atomic arrangements in the solid state.

At a glance

Key Properties

Cross-validated computational properties for Au2Ba1K1, aggregated across 2 databases.

Band Gap

0.16 eV
Range across DFT structures

Energy Above Hull

0.941 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 14 space groups
Uses

Applications

Where Au2Ba1K1 is used.

Fundamental materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Au2Ba1K1, answered from cross-validated data.

What is Au2Ba1K1?

Au2Ba1K1 is a semiconducting ternary intermetallic compound containing gold, barium, and potassium that exhibits metastable characteristics.

More questions
What is Au2Ba1K1 used for?
Au2Ba1K1 is used in fundamental materials science research and solid-state chemistry studies.
What is the band gap of Au2Ba1K1?
Au2Ba1K1 has a DFT-computed band gap of 0.16 eV across 27 reported structures.
Is Au2Ba1K1 a metal, semiconductor, or insulator?
With a band gap up to 0.16 eV it is a semiconductor.
Is Au2Ba1K1 thermodynamically stable?
Au2Ba1K1 has a lowest energy above hull of 0.941 eV/atom (above hull).
How many polymorphs of Au2Ba1K1 are known?
27 structures of Au2Ba1K1 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Au2Ba1K1 contain?
Au2Ba1K1 contains Au, Ba, and K (3 elements).
Where does the data for Au2Ba1K1 come from?
Au2Ba1K1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Au2Ba1K1 serves as a specialized case study in the broader landscape of gold-based intermetallics, where the interplay of large alkaline earth and alkali metal cations dictates its complex structural formation.

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

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