HgAsO4

HgAsO4 is a semiconducting mercury arsenate compound known for its structural complexity and metastable nature.

AsHgO
Crystal structure of HgAsO4
Ground-state structure · Materials Project
Overview

About HgAsO4

HgAsO4 is a complex inorganic compound composed of mercury, arsenic, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic oxides, positioning it as a subject of interest for fundamental solid-state research. The compound is characterized by a significant degree of structural diversity, as evidenced by its multiple reported configurations across various databases. Because it resides above the thermodynamic hull, it is considered a metastable phase, which often necessitates specific synthesis conditions to stabilize its crystalline framework.

At a glance

Key Properties

Cross-validated computational properties for HgAsO4, aggregated across 3 databases.

Band Gap

0.10 eV
Range across DFT structures

Energy Above Hull

0.258 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

9
3 databases, 4 space groups
Reference

Frequently Asked Questions

Common questions about HgAsO4, answered from cross-validated data.

What is HgAsO4?

HgAsO4 is a semiconducting mercury arsenate compound known for its structural complexity and metastable nature.

More questions
What is the band gap of HgAsO4?
HgAsO4 has a DFT-computed band gap of 0.10 eV across 9 reported structures.
Is HgAsO4 a metal, semiconductor, or insulator?
With a band gap up to 0.10 eV it is a semiconductor.
Is HgAsO4 thermodynamically stable?
HgAsO4 has a lowest energy above hull of 0.258 eV/atom (above hull).
How many polymorphs of HgAsO4 are known?
9 structures of HgAsO4 are reported across 3 databases, spanning 4 distinct space groups.
What elements does HgAsO4 contain?
HgAsO4 contains As, Hg, and O (3 elements).
Where does the data for HgAsO4 come from?
HgAsO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic species, HgAsO4 serves as a distinct representative of mercury-based arsenates. While it lacks direct structural siblings in this specific dataset, its role within the broader class of metal arsenates highlights the complex interplay between heavy metal cations and oxyanion frameworks in determining electronic and stability profiles.

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

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