MoSI

MoSI is a semiconducting ternary compound of molybdenum, sulfur, and iodine that is considered a viable candidate for experimental synthesis.

IMoS
Crystal structure of MoSI
Ground-state structure · Materials Project
Overview

About MoSI

MoSI is a ternary inorganic compound composed of molybdenum, sulfur, and iodine. Characterized as a semiconductor, it occupies a unique position in materials science due to its electronic properties and potential for integration into functional devices. Its status as a near-hull material suggests that it is energetically accessible for experimental synthesis, making it a subject of interest for researchers exploring new chalcogenide-halide systems. The compound is supported by multiple structural reports across major databases, indicating a robust foundation for further investigation into its crystalline phases. As a semiconducting material, it holds potential for specialized applications in electronics and optoelectronics where precise control over charge carriers is required. Its structural versatility, evidenced by various reported configurations, allows for a nuanced understanding of its behavior under different conditions.

At a glance

Key Properties

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

Band Gap

0.91 eV
Range across DFT structures

Energy Above Hull

0.023 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

7
4 databases, 4 space groups
Uses

Applications

Where MoSI is used.

Semiconductor researchOptoelectronic device developmentMaterials science exploration
Reference

Frequently Asked Questions

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

What is MoSI?

MoSI is a semiconducting ternary compound of molybdenum, sulfur, and iodine that is considered a viable candidate for experimental synthesis.

More questions
What is MoSI used for?
MoSI is used in semiconductor research, optoelectronic device development, and materials science exploration.
What is the band gap of MoSI?
MoSI has a DFT-computed band gap of 0.91 eV across 7 reported structures.
Is MoSI a metal, semiconductor, or insulator?
With a band gap up to 0.91 eV it is a semiconductor.
Is MoSI thermodynamically stable?
MoSI has a lowest energy above hull of 0.023 eV/atom (near hull (likely stable)).
How many polymorphs of MoSI are known?
7 structures of MoSI are reported across 4 databases, spanning 4 distinct space groups.
What elements does MoSI contain?
MoSI contains I, Mo, and S (3 elements).
Where does the data for MoSI come from?
MoSI data is cross-referenced from latticegraph.
Comparison

How It Compares

As a ternary compound, MoSI represents a distinct structural class that bridges the gap between traditional metal sulfides and metal iodides, offering a unique electronic profile that sets it apart from simpler binary systems.

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

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