Ba2Ge1Hg1

Ba2Ge1Hg1 is a semiconducting ternary intermetallic compound containing barium, germanium, and mercury that is primarily studied for its structural properties.

BaGeHg
Crystal structure of Ba2Ge1Hg1
Ground-state structure · Materials Project
Overview

About Ba2Ge1Hg1

Ba2Ge1Hg1 is a complex intermetallic compound composed of barium, germanium, and mercury. As a semiconducting material, it represents a unique intersection of alkaline earth metal, metalloid, and transition metal chemistry, offering a distinct electronic profile for fundamental materials study.

While this compound has been identified in structural databases, its thermodynamic profile suggests it exists in a metastable state above the hull. This indicates that its synthesis and long-term stability are highly sensitive to processing conditions, making it a subject of interest for researchers exploring complex phase spaces.

At a glance

Key Properties

Cross-validated computational properties for Ba2Ge1Hg1, aggregated across 2 databases.

Band Gap

0.17 eV
Range across DFT structures

Energy Above Hull

1.480 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 14 space groups
Uses

Applications

Where Ba2Ge1Hg1 is used.

Fundamental materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Ba2Ge1Hg1, answered from cross-validated data.

What is Ba2Ge1Hg1?

Ba2Ge1Hg1 is a semiconducting ternary intermetallic compound containing barium, germanium, and mercury that is primarily studied for its structural properties.

More questions
What is Ba2Ge1Hg1 used for?
Ba2Ge1Hg1 is used in fundamental materials science research and solid-state chemistry studies.
What is the band gap of Ba2Ge1Hg1?
Ba2Ge1Hg1 has a DFT-computed band gap of 0.17 eV across 26 reported structures.
Is Ba2Ge1Hg1 a metal, semiconductor, or insulator?
With a band gap up to 0.17 eV it is a semiconductor.
Is Ba2Ge1Hg1 thermodynamically stable?
Ba2Ge1Hg1 has a lowest energy above hull of 1.480 eV/atom (above hull).
How many polymorphs of Ba2Ge1Hg1 are known?
26 structures of Ba2Ge1Hg1 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Ba2Ge1Hg1 contain?
Ba2Ge1Hg1 contains Ba, Ge, and Hg (3 elements).
Where does the data for Ba2Ge1Hg1 come from?
Ba2Ge1Hg1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized ternary intermetallic, Ba2Ge1Hg1 occupies a unique niche in materials science. Unlike more common, thermodynamically robust binary alloys, this compound serves as a case study in the structural complexity and synthetic challenges associated with multi-element systems that do not readily form stable ground-state configurations.

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

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