Mo12O72S12

Mo12O72S12 is a stable, insulating inorganic compound composed of molybdenum, oxygen, and sulfur.

MoOS
Crystal structure of Mo12O72S12
Ground-state structure · Materials Project
Overview

About Mo12O72S12

Mo12O72S12 is a complex inorganic compound characterized by its insulating electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of molybdenum, oxygen, and sulfur atoms.

This material is of significant interest to researchers investigating specialized structural frameworks. Its stability suggests potential for integration into advanced chemical systems where reliable, long-term structural integrity is required.

At a glance

Key Properties

Cross-validated computational properties for Mo12O72S12, aggregated across 3 databases.

Band Gap

3.12 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about Mo12O72S12, answered from cross-validated data.

What is Mo12O72S12?

Mo12O72S12 is a stable, insulating inorganic compound composed of molybdenum, oxygen, and sulfur.

More questions
What is the band gap of Mo12O72S12?
Mo12O72S12 has a DFT-computed band gap of 3.12 eV across 4 reported structures.
Is Mo12O72S12 a metal, semiconductor, or insulator?
With a wide band gap up to 3.12 eV it is an insulator / wide-band-gap material.
Is Mo12O72S12 thermodynamically stable?
Yes — Mo12O72S12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Mo12O72S12 are known?
4 structures of Mo12O72S12 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Mo12O72S12 contain?
Mo12O72S12 contains Mo, O, and S (3 elements).
Where does the data for Mo12O72S12 come from?
Mo12O72S12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique structural entity, Mo12O72S12 serves as a distinct point of reference within its chemical family, representing a specialized configuration of molybdenum-based chalcogenide-oxide materials.

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

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