CaHg

CaHg is a stable metallic intermetallic compound formed from calcium and mercury that is frequently studied for its diverse structural configurations.

CaHg
Crystal structure of CaHg
Ground-state structure · Materials Project
Overview

About CaHg

CaHg is a thermodynamically stable intermetallic compound composed of calcium and mercury. As a metallic phase, it exhibits characteristic conductive properties and structural integrity that place it on the convex hull of stability, indicating a robust atomic arrangement.

This material is of significant interest in condensed matter physics and materials science due to its well-documented structural diversity. With numerous reported structures across multiple databases, it serves as a foundational subject for understanding binary alloy systems and phase formation.

At a glance

Key Properties

Cross-validated computational properties for CaHg, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

45
4 databases, 13 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of CaHg. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: medium

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

2
jarvis, materials_project

Space Group Consensus

All match
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CaHg.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where CaHg is used.

Materials science researchCondensed matter physics studiesAlloy phase diagram analysis
Reference

Frequently Asked Questions

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

What is CaHg?

CaHg is a stable metallic intermetallic compound formed from calcium and mercury that is frequently studied for its diverse structural configurations.

More questions
What is CaHg used for?
CaHg is used in materials science research, condensed matter physics studies, and alloy phase diagram analysis.
What is the band gap of CaHg?
CaHg is computed to be metallic (no band gap) in the reported DFT structures.
Is CaHg a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CaHg thermodynamically stable?
Yes — CaHg sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of CaHg are known?
45 structures of CaHg are reported across 4 databases, spanning 13 distinct space groups.
How is CaHg synthesized?
Literature-reported routes for CaHg include solid state (2 procedures documented).
What elements does CaHg contain?
CaHg contains Ca and Hg (2 elements).
Where does the data for CaHg come from?
CaHg data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct binary intermetallic, CaHg represents a fundamental case study in calcium-mercury chemistry, serving as a benchmark for evaluating the structural complexity and stability trends often observed in similar alkaline earth-mercury systems.

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

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