MoCl6
MoCl6 is a thermodynamically stable, semiconducting molybdenum chloride compound known for its structural complexity.
About MoCl6
MoCl6 is a distinct molybdenum chloride compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement of molybdenum and chlorine atoms. Its stability makes it a point of interest for researchers investigating high-valent metal halides.
The compound is recognized for its structural diversity, supported by multiple reported configurations across various databases. This data richness underscores its significance in fundamental materials research, where understanding the bonding and electronic behavior of such halides is essential for broader applications in inorganic chemistry.
Key Properties
Cross-validated computational properties for MoCl6, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Applications
Where MoCl6 is used.
Frequently Asked Questions
Common questions about MoCl6, answered from cross-validated data.
What is MoCl6?
MoCl6 is a thermodynamically stable, semiconducting molybdenum chloride compound known for its structural complexity.
What is MoCl6 used for?
What is the band gap of MoCl6?
Is MoCl6 a metal, semiconductor, or insulator?
Is MoCl6 thermodynamically stable?
How many polymorphs of MoCl6 are known?
What elements does MoCl6 contain?
Where does the data for MoCl6 come from?
How It Compares
As a unique halide in its class, MoCl6 serves as a critical reference point for understanding the behavior of high-oxidation-state transition metal chlorides. Its status as a thermodynamically stable material distinguishes it from less resilient halide phases, positioning it as a robust candidate for further experimental exploration.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze MoCl6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →