Hg2MoO4

Hg2MoO4 is a stable, semiconducting inorganic compound containing mercury, molybdenum, and oxygen.

HgMoO
Crystal structure of Hg2MoO4
Ground-state structure · Materials Project
Overview

About Hg2MoO4

Hg2MoO4 is a semiconducting inorganic compound composed of mercury, molybdenum, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement that is of significant interest for fundamental materials research.

With multiple reported structures across various databases, this compound demonstrates a rich structural landscape. Its electronic character positions it as a subject of interest for researchers exploring the interplay between heavy metal cations and transition metal oxo-anions in solid-state systems.

At a glance

Key Properties

Cross-validated computational properties for Hg2MoO4, aggregated across 3 databases.

Band Gap

1.89–2.05 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about Hg2MoO4, answered from cross-validated data.

What is Hg2MoO4?

Hg2MoO4 is a stable, semiconducting inorganic compound containing mercury, molybdenum, and oxygen.

More questions
What is the band gap of Hg2MoO4?
Hg2MoO4 has a DFT-computed band gap of 1.89–2.05 eV across 10 reported structures.
Is Hg2MoO4 a metal, semiconductor, or insulator?
With a band gap up to 2.05 eV it is a semiconductor.
Is Hg2MoO4 thermodynamically stable?
Yes — Hg2MoO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Hg2MoO4 are known?
10 structures of Hg2MoO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Hg2MoO4 contain?
Hg2MoO4 contains Hg, Mo, and O (3 elements).
Where does the data for Hg2MoO4 come from?
Hg2MoO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic system, Hg2MoO4 occupies a distinct place in materials science, serving as a stable benchmark for mercury-molybdenum oxide chemistry. Its stability and semiconducting nature provide a foundational reference point for understanding the behavior of complex metal molybdates.

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

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