Ba2Hg1Li1

Ba2Hg1Li1 is a semiconducting ternary intermetallic compound consisting of barium, mercury, and lithium.

BaHgLi
Crystal structure of Ba2Hg1Li1
Ground-state structure · Materials Project
Overview

About Ba2Hg1Li1

Ba2Hg1Li1 is a complex ternary intermetallic compound composed of barium, mercury, and lithium. It exhibits semiconducting electronic behavior, which distinguishes it from typical metallic alloys and positions it as an intriguing candidate for specialized solid-state research.

Due to its position above the thermodynamic hull, this material is considered metastable under standard conditions. Its existence in structural databases highlights the diversity of phases possible in alkali-alkaline earth-mercury systems, providing valuable data for predictive materials modeling.

At a glance

Key Properties

Cross-validated computational properties for Ba2Hg1Li1, aggregated across 2 databases.

Band Gap

0.11 eV
Range across DFT structures

Energy Above Hull

1.309 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 14 space groups
Reference

Frequently Asked Questions

Common questions about Ba2Hg1Li1, answered from cross-validated data.

What is Ba2Hg1Li1?

Ba2Hg1Li1 is a semiconducting ternary intermetallic compound consisting of barium, mercury, and lithium.

More questions
What is the band gap of Ba2Hg1Li1?
Ba2Hg1Li1 has a DFT-computed band gap of 0.11 eV across 26 reported structures.
Is Ba2Hg1Li1 a metal, semiconductor, or insulator?
With a band gap up to 0.11 eV it is a semiconductor.
Is Ba2Hg1Li1 thermodynamically stable?
Ba2Hg1Li1 has a lowest energy above hull of 1.309 eV/atom (above hull).
How many polymorphs of Ba2Hg1Li1 are known?
26 structures of Ba2Hg1Li1 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Ba2Hg1Li1 contain?
Ba2Hg1Li1 contains Ba, Hg, and Li (3 elements).
Where does the data for Ba2Hg1Li1 come from?
Ba2Hg1Li1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ba2Hg1Li1 represents a distinct structural arrangement within the broader landscape of mercury-containing intermetallics. It serves as a specific case study in how the combination of heavy alkaline earth metals and alkali elements can influence the electronic properties of mercury-based compounds.

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

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