NaCl3
NaCl3 is a metastable semiconducting compound of sodium and chlorine that is primarily studied for its unconventional structural properties.
About NaCl3
NaCl3 is a metastable inorganic compound composed of sodium and chlorine. As a semiconducting material, it represents an unconventional stoichiometry that deviates from standard ionic bonding expectations typically found in alkali halides. Its existence is supported by a significant number of reported structures across various computational databases, highlighting its interest for theoretical study.
This compound is primarily significant for researchers investigating high-pressure phases and non-traditional chemical bonding. Because it occupies a metastable state, it serves as a critical model for understanding how unconventional compositions can be stabilized under specific conditions, providing insight into the broader landscape of sodium-chlorine chemistry.
Key Properties
Cross-validated computational properties for NaCl3, 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 NaCl3 is used.
Frequently Asked Questions
Common questions about NaCl3, answered from cross-validated data.
What is NaCl3?
NaCl3 is a metastable semiconducting compound of sodium and chlorine that is primarily studied for its unconventional structural properties.
What is NaCl3 used for?
What is the band gap of NaCl3?
Is NaCl3 a metal, semiconductor, or insulator?
Is NaCl3 thermodynamically stable?
How many polymorphs of NaCl3 are known?
What elements does NaCl3 contain?
Where does the data for NaCl3 come from?
How It Compares
As a unique stoichiometry within the sodium-chlorine system, NaCl3 stands apart from the common, highly stable ionic salts that dominate the class. While most binary compounds in this family favor simple, charge-balanced configurations, this material represents a more complex, electronically distinct phase that challenges traditional valence rules.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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