Nb3Cl8
Nb3Cl8 is a thermodynamically stable semiconducting compound composed of niobium and chlorine.
About Nb3Cl8
Nb3Cl8 is a distinct niobium chloride compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of niobium and chlorine atoms that maintains integrity under standard conditions. Its existence across multiple reported structures highlights its significance in the study of transition metal halides. This material serves as a subject of interest for researchers investigating the complex interplay between metal-metal bonding and halide coordination in low-dimensional systems. Its stability makes it a reliable candidate for examining electronic transitions and structural variations within the broader family of niobium-based halides.
Key Properties
Cross-validated computational properties for Nb3Cl8, aggregated across 3 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 Nb3Cl8 is used.
Frequently Asked Questions
Common questions about Nb3Cl8, answered from cross-validated data.
What is Nb3Cl8?
Nb3Cl8 is a thermodynamically stable semiconducting compound composed of niobium and chlorine.
What is Nb3Cl8 used for?
What is the band gap of Nb3Cl8?
Is Nb3Cl8 a metal, semiconductor, or insulator?
Is Nb3Cl8 thermodynamically stable?
How many polymorphs of Nb3Cl8 are known?
What elements does Nb3Cl8 contain?
Where does the data for Nb3Cl8 come from?
How It Compares
As a unique niobium-rich halide, Nb3Cl8 occupies a specialized niche in inorganic chemistry. While many transition metal halides are prone to instability or oxidation, this compound stands out due to its position on the convex hull, indicating a high degree of thermodynamic favorability compared to other potential stoichiometries in the niobium-chlorine system.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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