HgO2

HgO2 is a semiconducting mercury oxide compound characterized by its structural complexity and metastable nature.

HgO
Crystal structure of HgO2
Ground-state structure · Materials Project
Overview

About HgO2

HgO2 is a mercury-based oxide that exhibits semiconducting electronic behavior. As a compound with a high degree of structural diversity, it has been the subject of extensive investigation across multiple materials databases, reflecting its complex chemical landscape. Due to its position relative to the thermodynamic ground state, this material is generally considered metastable. Its unique composition makes it a compelling subject for researchers studying the interplay between heavy metal cations and oxygen coordination in non-equilibrium phases.

At a glance

Key Properties

Cross-validated computational properties for HgO2, aggregated across 3 databases.

Band Gap

0.05–0.37 eV
Range across DFT structures

Energy Above Hull

0.359 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

211
3 databases, 29 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting HgO2.

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

Applications

Where HgO2 is used.

Fundamental materials researchHigh-pressure synthesis studiesSolid-state chemistry modeling
Reference

Frequently Asked Questions

Common questions about HgO2, answered from cross-validated data.

What is HgO2?

HgO2 is a semiconducting mercury oxide compound characterized by its structural complexity and metastable nature.

More questions
What is HgO2 used for?
HgO2 is used in fundamental materials research, high-pressure synthesis studies, and solid-state chemistry modeling.
What is the band gap of HgO2?
HgO2 has a DFT-computed band gap of 0.05–0.37 eV across 211 reported structures.
Is HgO2 a metal, semiconductor, or insulator?
With a band gap up to 0.37 eV it is a semiconductor.
Is HgO2 thermodynamically stable?
HgO2 has a lowest energy above hull of 0.359 eV/atom (above hull).
How many polymorphs of HgO2 are known?
211 structures of HgO2 are reported across 3 databases, spanning 29 distinct space groups.
How is HgO2 synthesized?
Literature-reported routes for HgO2 include solid state (2 procedures documented).
What elements does HgO2 contain?
HgO2 contains Hg and O (2 elements).
Where does the data for HgO2 come from?
HgO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized mercury oxide, HgO2 occupies a distinct niche in materials science, primarily serving as a model system for exploring high-pressure phases and metastable oxide configurations where standard stoichiometry is often challenged.

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

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