Ba1Hg2Mg1

Ba1Hg2Mg1 is a semiconducting ternary intermetallic compound that exhibits metastable characteristics.

BaHgMg
Crystal structure of Ba1Hg2Mg1
Ground-state structure · Materials Project
Overview

About Ba1Hg2Mg1

Ba1Hg2Mg1 is a complex ternary intermetallic compound characterized by its semiconducting electronic behavior. Its composition, involving alkaline earth and post-transition metals, places it in a unique structural category where electronic properties are highly sensitive to atomic arrangement.

Due to its position above the thermodynamic hull, this material is considered metastable, which makes it a subject of interest for researchers studying phase stability and synthesis pathways. Its existence across multiple reported structures highlights the diverse ways these elements can organize at the atomic scale.

At a glance

Key Properties

Cross-validated computational properties for Ba1Hg2Mg1, aggregated across 2 databases.

Band Gap

0.15 eV
Range across DFT structures

Energy Above Hull

1.137 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 15 space groups
Reference

Frequently Asked Questions

Common questions about Ba1Hg2Mg1, answered from cross-validated data.

What is Ba1Hg2Mg1?

Ba1Hg2Mg1 is a semiconducting ternary intermetallic compound that exhibits metastable characteristics.

More questions
What is the band gap of Ba1Hg2Mg1?
Ba1Hg2Mg1 has a DFT-computed band gap of 0.15 eV across 26 reported structures.
Is Ba1Hg2Mg1 a metal, semiconductor, or insulator?
With a band gap up to 0.15 eV it is a semiconductor.
Is Ba1Hg2Mg1 thermodynamically stable?
Ba1Hg2Mg1 has a lowest energy above hull of 1.137 eV/atom (above hull).
How many polymorphs of Ba1Hg2Mg1 are known?
26 structures of Ba1Hg2Mg1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Ba1Hg2Mg1 contain?
Ba1Hg2Mg1 contains Ba, Hg, and Mg (3 elements).
Where does the data for Ba1Hg2Mg1 come from?
Ba1Hg2Mg1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ba1Hg2Mg1 represents a distinct structural configuration within the landscape of barium-mercury-magnesium systems, serving as a point of reference for understanding how electronic semiconducting behavior emerges in complex, metastable intermetallic compounds.

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

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