Au2Ca1Hg1

Au2Ca1Hg1 is a semiconducting ternary intermetallic compound composed of gold, calcium, and mercury.

AuCaHg
Crystal structure of Au2Ca1Hg1
Ground-state structure · Materials Project
Overview

About Au2Ca1Hg1

Au2Ca1Hg1 is a complex ternary compound composed of gold, calcium, and mercury. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic alloys, making it a subject of interest for fundamental solid-state research.

Due to its position above the thermodynamic hull, this compound is considered metastable, which presents unique challenges and opportunities for synthesis and characterization. Its existence within a diverse database of structural configurations highlights the intricate bonding environments possible in gold-based intermetallic systems.

At a glance

Key Properties

Cross-validated computational properties for Au2Ca1Hg1, aggregated across 2 databases.

Band Gap

1.65 eV
Range across DFT structures

Energy Above Hull

0.952 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 15 space groups
Reference

Frequently Asked Questions

Common questions about Au2Ca1Hg1, answered from cross-validated data.

What is Au2Ca1Hg1?

Au2Ca1Hg1 is a semiconducting ternary intermetallic compound composed of gold, calcium, and mercury.

More questions
What is the band gap of Au2Ca1Hg1?
Au2Ca1Hg1 has a DFT-computed band gap of 1.65 eV across 27 reported structures.
Is Au2Ca1Hg1 a metal, semiconductor, or insulator?
With a band gap up to 1.65 eV it is a semiconductor.
Is Au2Ca1Hg1 thermodynamically stable?
Au2Ca1Hg1 has a lowest energy above hull of 0.952 eV/atom (above hull).
How many polymorphs of Au2Ca1Hg1 are known?
27 structures of Au2Ca1Hg1 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Au2Ca1Hg1 contain?
Au2Ca1Hg1 contains Au, Ca, and Hg (3 elements).
Where does the data for Au2Ca1Hg1 come from?
Au2Ca1Hg1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Au2Ca1Hg1 represents a specialized structural arrangement within the broader landscape of gold-calcium-mercury materials, serving as a distinct example of how stoichiometry influences the electronic behavior of complex intermetallics.

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

Analyze Au2Ca1Hg1 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →