HgSeO3

HgSeO3 is a thermodynamically stable semiconducting compound containing mercury, selenium, and oxygen.

HgOSe
Crystal structure of HgSeO3
Ground-state structure · Materials Project
Overview

About HgSeO3

HgSeO3 is a distinct inorganic compound composed of mercury, selenium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that is well-represented in structural databases. Its electronic character as a semiconductor makes it an intriguing subject for fundamental research into mercury-based chalcogenide oxides. The material's stability and electronic behavior suggest it may serve as a building block for specialized functional materials where precise control over electronic properties is required. Its presence across multiple structural databases highlights its significance in the study of complex ternary oxides.

At a glance

Key Properties

Cross-validated computational properties for HgSeO3, aggregated across 4 databases.

Band Gap

2.28–2.60 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

16
4 databases, 3 space groups
Uses

Applications

Where HgSeO3 is used.

Fundamental materials researchSemiconductor developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about HgSeO3, answered from cross-validated data.

What is HgSeO3?

HgSeO3 is a thermodynamically stable semiconducting compound containing mercury, selenium, and oxygen.

More questions
What is HgSeO3 used for?
HgSeO3 is used in fundamental materials research, semiconductor development, and solid-state chemistry studies.
What is the band gap of HgSeO3?
HgSeO3 has a DFT-computed band gap of 2.28–2.60 eV across 16 reported structures.
Is HgSeO3 a metal, semiconductor, or insulator?
With a band gap up to 2.60 eV it is a semiconductor.
Is HgSeO3 thermodynamically stable?
Yes — HgSeO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of HgSeO3 are known?
16 structures of HgSeO3 are reported across 4 databases, spanning 3 distinct space groups.
What elements does HgSeO3 contain?
HgSeO3 contains Hg, O, and Se (3 elements).
Where does the data for HgSeO3 come from?
HgSeO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary compound, HgSeO3 occupies a specialized niche in materials science. Without direct structural siblings in this specific class, it serves as a primary reference point for understanding the interplay between heavy metal cations and oxyanion frameworks in semiconducting systems.

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

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