Bi1Ca1Hg2

Bi1Ca1Hg2 is a metastable, semiconducting ternary compound containing bismuth, calcium, and mercury.

BiCaHg
Crystal structure of Bi1Ca1Hg2
Ground-state structure · Materials Project
Overview

About Bi1Ca1Hg2

Bi1Ca1Hg2 is a complex ternary compound composed of bismuth, calcium, and mercury. As a semiconducting material, it represents a unique intersection of heavy metal and alkaline earth chemistry, presenting a distinct electronic profile within its structural framework.

Due to its position above the thermodynamic hull, this compound is considered metastable. Its existence is documented across a significant number of structural variations, reflecting the complex coordination environments that can arise in mercury-containing intermetallic systems.

At a glance

Key Properties

Cross-validated computational properties for Bi1Ca1Hg2, aggregated across 2 databases.

Band Gap

0.22 eV
Range across DFT structures

Energy Above Hull

1.193 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 Bi1Ca1Hg2, answered from cross-validated data.

What is Bi1Ca1Hg2?

Bi1Ca1Hg2 is a metastable, semiconducting ternary compound containing bismuth, calcium, and mercury.

More questions
What is the band gap of Bi1Ca1Hg2?
Bi1Ca1Hg2 has a DFT-computed band gap of 0.22 eV across 26 reported structures.
Is Bi1Ca1Hg2 a metal, semiconductor, or insulator?
With a band gap up to 0.22 eV it is a semiconductor.
Is Bi1Ca1Hg2 thermodynamically stable?
Bi1Ca1Hg2 has a lowest energy above hull of 1.193 eV/atom (above hull).
How many polymorphs of Bi1Ca1Hg2 are known?
26 structures of Bi1Ca1Hg2 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Bi1Ca1Hg2 contain?
Bi1Ca1Hg2 contains Bi, Ca, and Hg (3 elements).
Where does the data for Bi1Ca1Hg2 come from?
Bi1Ca1Hg2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a singular entry in this context, Bi1Ca1Hg2 serves as a specialized case study for how ternary combinations of heavy post-transition metals and alkaline earth elements can form semiconducting phases, even when they do not occupy the lowest energy state on the thermodynamic landscape.

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

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