Ca2GeHg

Ca2GeHg is a semimetallic ternary compound composed of calcium, germanium, and mercury that is predicted to be stable enough for laboratory synthesis.

CaGeHg
Crystal structure of Ca2GeHg
Ground-state structure · Materials Project
Overview

About Ca2GeHg

Ca2GeHg is a ternary inorganic compound composed of calcium, germanium, and mercury. It exhibits near-zero-gap electronic behavior, placing it in the category of semimetallic materials that bridge the gap between conductors and semiconductors.

Due to its position near the thermodynamic hull, this compound is considered a promising candidate for experimental synthesis. Its structural characteristics are documented across multiple databases, highlighting its role as a subject of interest in solid-state chemistry research.

At a glance

Key Properties

Cross-validated computational properties for Ca2GeHg, aggregated across 3 databases.

Band Gap

0.01 eV
Range across DFT structures

Energy Above Hull

0.013 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

4
3 databases, 3 space groups
Uses

Applications

Where Ca2GeHg is used.

Solid-state chemistry researchElectronic property studiesMaterials discovery
Reference

Frequently Asked Questions

Common questions about Ca2GeHg, answered from cross-validated data.

What is Ca2GeHg?

Ca2GeHg is a semimetallic ternary compound composed of calcium, germanium, and mercury that is predicted to be stable enough for laboratory synthesis.

More questions
What is Ca2GeHg used for?
Ca2GeHg is used in solid-state chemistry research, electronic property studies, and materials discovery.
What is the band gap of Ca2GeHg?
Ca2GeHg has a DFT-computed band gap of 0.01 eV across 4 reported structures.
Is Ca2GeHg a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ca2GeHg thermodynamically stable?
Ca2GeHg has a lowest energy above hull of 0.013 eV/atom (near hull (likely stable)).
How many polymorphs of Ca2GeHg are known?
4 structures of Ca2GeHg are reported across 3 databases, spanning 3 distinct space groups.
What elements does Ca2GeHg contain?
Ca2GeHg contains Ca, Ge, and Hg (3 elements).
Where does the data for Ca2GeHg come from?
Ca2GeHg data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ca2GeHg represents an intriguing entry in materials discovery, serving as a distinct example of how alkaline earth metals can be combined with post-transition elements to tune electronic states near the Fermi level.

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

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