Ba1Hg2K1

Ba1Hg2K1 is a semiconducting ternary intermetallic compound composed of barium, mercury, and potassium that exhibits metastable thermodynamic characteristics.

BaHgK
Crystal structure of Ba1Hg2K1
Ground-state structure · Materials Project
Overview

About Ba1Hg2K1

Ba1Hg2K1 is a complex ternary intermetallic compound composed of barium, mercury, and potassium. As a semiconducting material, it represents a unique intersection of alkaline earth metals, post-transition metals, and alkali metals, offering a distinct electronic profile compared to more common metallic alloys.

Due to its position above the thermodynamic hull, this compound is considered metastable, which makes it a subject of significant interest for researchers studying phase stability and synthesis pathways. Its existence across multiple reported structures highlights the structural complexity inherent in this specific elemental combination.

At a glance

Key Properties

Cross-validated computational properties for Ba1Hg2K1, aggregated across 2 databases.

Band Gap

0.16 eV
Range across DFT structures

Energy Above Hull

0.955 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 13 space groups
Reference

Frequently Asked Questions

Common questions about Ba1Hg2K1, answered from cross-validated data.

What is Ba1Hg2K1?

Ba1Hg2K1 is a semiconducting ternary intermetallic compound composed of barium, mercury, and potassium that exhibits metastable thermodynamic characteristics.

More questions
What is the band gap of Ba1Hg2K1?
Ba1Hg2K1 has a DFT-computed band gap of 0.16 eV across 26 reported structures.
Is Ba1Hg2K1 a metal, semiconductor, or insulator?
With a band gap up to 0.16 eV it is a semiconductor.
Is Ba1Hg2K1 thermodynamically stable?
Ba1Hg2K1 has a lowest energy above hull of 0.955 eV/atom (above hull).
How many polymorphs of Ba1Hg2K1 are known?
26 structures of Ba1Hg2K1 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Ba1Hg2K1 contain?
Ba1Hg2K1 contains Ba, Hg, and K (3 elements).
Where does the data for Ba1Hg2K1 come from?
Ba1Hg2K1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ba1Hg2K1 occupies a specialized niche in materials science, serving as a rare example of a semiconducting intermetallic that deviates from standard metallic bonding trends found in simpler binary systems.

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

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