Hg3AsO4

Hg3AsO4 is a thermodynamically stable semiconducting arsenate compound characterized by its structural reliability.

AsHgO
Crystal structure of Hg3AsO4
Ground-state structure · Materials Project
Overview

About Hg3AsO4

Hg3AsO4 is a thermodynamically stable inorganic compound that exists on the convex hull, indicating significant structural robustness. As a semiconducting material, it possesses electronic properties that make it a subject of interest for fundamental solid-state research and materials characterization.

With multiple reported structures across major databases, this compound is well-documented in the scientific literature. Its stability and distinct electronic character distinguish it as a reliable reference point for studies involving mercury-based arsenate systems.

At a glance

Key Properties

Cross-validated computational properties for Hg3AsO4, aggregated across 4 databases.

Band Gap

0.50–1.82 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

8
4 databases, 2 space groups
Uses

Applications

Where Hg3AsO4 is used.

Solid-state researchMaterials science characterization
Reference

Frequently Asked Questions

Common questions about Hg3AsO4, answered from cross-validated data.

What is Hg3AsO4?

Hg3AsO4 is a thermodynamically stable semiconducting arsenate compound characterized by its structural reliability.

More questions
What is Hg3AsO4 used for?
Hg3AsO4 is used in solid-state research and materials science characterization.
What is the band gap of Hg3AsO4?
Hg3AsO4 has a DFT-computed band gap of 0.50–1.82 eV across 8 reported structures.
Is Hg3AsO4 a metal, semiconductor, or insulator?
With a band gap up to 1.82 eV it is a semiconductor.
Is Hg3AsO4 thermodynamically stable?
Yes — Hg3AsO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Hg3AsO4 are known?
8 structures of Hg3AsO4 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Hg3AsO4 contain?
Hg3AsO4 contains As, Hg, and O (3 elements).
Where does the data for Hg3AsO4 come from?
Hg3AsO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable member of the arsenate family, this compound serves as an important benchmark for understanding the structural and electronic behavior of heavy-metal oxoanion systems.

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

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