Ba1Hg2Sn1

Ba1Hg2Sn1 is a semiconducting ternary intermetallic compound composed of barium, mercury, and tin that exhibits metastable thermodynamic characteristics.

BaHgSn
Crystal structure of Ba1Hg2Sn1
Ground-state structure · Materials Project
Overview

About Ba1Hg2Sn1

Ba1Hg2Sn1 is a complex ternary intermetallic compound composed of barium, mercury, and tin. It exhibits semiconducting electronic behavior, making it a subject of interest for fundamental studies in solid-state physics and materials science.

Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its structural complexity is reflected in the numerous reported configurations found across crystallographic databases, highlighting the intricate bonding landscape of heavy-element ternary systems.

At a glance

Key Properties

Cross-validated computational properties for Ba1Hg2Sn1, aggregated across 2 databases.

Band Gap

0.20 eV
Range across DFT structures

Energy Above Hull

1.252 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 Ba1Hg2Sn1, answered from cross-validated data.

What is Ba1Hg2Sn1?

Ba1Hg2Sn1 is a semiconducting ternary intermetallic compound composed of barium, mercury, and tin that exhibits metastable thermodynamic characteristics.

More questions
What is the band gap of Ba1Hg2Sn1?
Ba1Hg2Sn1 has a DFT-computed band gap of 0.20 eV across 26 reported structures.
Is Ba1Hg2Sn1 a metal, semiconductor, or insulator?
With a band gap up to 0.20 eV it is a semiconductor.
Is Ba1Hg2Sn1 thermodynamically stable?
Ba1Hg2Sn1 has a lowest energy above hull of 1.252 eV/atom (above hull).
How many polymorphs of Ba1Hg2Sn1 are known?
26 structures of Ba1Hg2Sn1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Ba1Hg2Sn1 contain?
Ba1Hg2Sn1 contains Ba, Hg, and Sn (3 elements).
Where does the data for Ba1Hg2Sn1 come from?
Ba1Hg2Sn1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ba1Hg2Sn1 represents a specialized case within the broader landscape of barium-mercury-tin intermetallics. Without direct structural siblings, it serves as a distinct data point for understanding how the combination of alkaline earth metals with post-transition elements influences electronic band structures and thermodynamic stability.

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

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