Ca1Hg2Sn1

Ca1Hg2Sn1 is a semimetallic ternary intermetallic compound containing calcium, mercury, and tin that exhibits metastable characteristics.

CaHgSn
Crystal structure of Ca1Hg2Sn1
Ground-state structure · Materials Project
Overview

About Ca1Hg2Sn1

Ca1Hg2Sn1 is a complex ternary intermetallic compound composed of calcium, mercury, and tin. Its electronic structure is characterized as a near-zero-gap semimetal, placing it in a unique position between metallic conductors and narrow-gap semiconductors.

Due to its position above the thermodynamic hull, this material is considered metastable, reflecting the intricate balance of bonding interactions between the alkaline earth metal and the post-transition elements. Its structural diversity is highlighted by numerous reported configurations within materials databases.

At a glance

Key Properties

Cross-validated computational properties for Ca1Hg2Sn1, aggregated across 2 databases.

Band Gap

0.09 eV
Range across DFT structures

Energy Above Hull

1.314 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 17 space groups
Reference

Frequently Asked Questions

Common questions about Ca1Hg2Sn1, answered from cross-validated data.

What is Ca1Hg2Sn1?

Ca1Hg2Sn1 is a semimetallic ternary intermetallic compound containing calcium, mercury, and tin that exhibits metastable characteristics.

More questions
What is the band gap of Ca1Hg2Sn1?
Ca1Hg2Sn1 has a DFT-computed band gap of 0.09 eV across 26 reported structures.
Is Ca1Hg2Sn1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ca1Hg2Sn1 thermodynamically stable?
Ca1Hg2Sn1 has a lowest energy above hull of 1.314 eV/atom (above hull).
How many polymorphs of Ca1Hg2Sn1 are known?
26 structures of Ca1Hg2Sn1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Ca1Hg2Sn1 contain?
Ca1Hg2Sn1 contains Ca, Hg, and Sn (3 elements).
Where does the data for Ca1Hg2Sn1 come from?
Ca1Hg2Sn1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ca1Hg2Sn1 serves as an intriguing subject for investigating the interplay of heavy elements like mercury and tin with calcium in a semimetallic framework, representing a specialized niche within intermetallic research.

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

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