MoSBr

MoSBr is a semiconducting ternary compound containing molybdenum, sulfur, and bromine that is considered a viable target for experimental synthesis.

BrMoS
Crystal structure of MoSBr
Ground-state structure · Materials Project
Overview

About MoSBr

MoSBr is a ternary inorganic compound composed of molybdenum, sulfur, and bromine. As a semiconducting material with near-hull thermodynamic stability, it represents a promising candidate for experimental synthesis and characterization within the broader landscape of chalcogenide-halide systems.

Its electronic character suggests potential utility in optoelectronic or sensing technologies where specific band structures are required. With multiple reported structures already identified in computational databases, this compound serves as a valuable subject for investigating the interplay between transition metal centers and mixed-anion coordination environments.

At a glance

Key Properties

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

Band Gap

0.79 eV
Range across DFT structures

Energy Above Hull

0.017 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 3 space groups
Uses

Applications

Where MoSBr is used.

Semiconductor researchOptoelectronic device developmentMaterials science exploration
Reference

Frequently Asked Questions

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

What is MoSBr?

MoSBr is a semiconducting ternary compound containing molybdenum, sulfur, and bromine that is considered a viable target for experimental synthesis.

More questions
What is MoSBr used for?
MoSBr is used in semiconductor research, optoelectronic device development, and materials science exploration.
What is the band gap of MoSBr?
MoSBr has a DFT-computed band gap of 0.79 eV across 5 reported structures.
Is MoSBr a metal, semiconductor, or insulator?
With a band gap up to 0.79 eV it is a semiconductor.
Is MoSBr thermodynamically stable?
MoSBr has a lowest energy above hull of 0.017 eV/atom (near hull (likely stable)).
How many polymorphs of MoSBr are known?
5 structures of MoSBr are reported across 3 databases, spanning 3 distinct space groups.
What elements does MoSBr contain?
MoSBr contains Br, Mo, and S (3 elements).
Where does the data for MoSBr come from?
MoSBr data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary phase, MoSBr occupies a specialized niche in materials science where the combination of chalcogen and halogen anions allows for tunable electronic properties that are often unavailable in simpler binary systems.

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

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