NdCl3

neodymium(III) chloride · neodymium trichloride

Neodymium(III) chloride is a stable, insulating rare-earth salt used as a precursor for neodymium metal and chemical catalysts.

ClNd
Crystal structure of NdCl3
Ground-state structure · Materials Project
Overview

About neodymium(III) chloride

Neodymium(III) chloride is a robust, thermodynamically stable inorganic halide that exists as a wide-gap insulator. Its structural versatility is highlighted by its presence in multiple reported crystal forms, making it a well-documented compound in solid-state chemistry. This material serves as a critical chemical intermediate. It is primarily utilized in the production of metallic neodymium and as a starting reagent for various organometallic neodymium complexes used in catalytic processes.

At a glance

Key Properties

Cross-validated computational properties for neodymium(III) chloride, aggregated across 3 databases.

Band Gap

4.30 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

13
3 databases, 4 space groups
Uses

Applications

Where neodymium(III) chloride is used.

Production of neodymium metalPrecursor for organometallic catalystsChemical synthesis intermediateLaser material research
Reference

Frequently Asked Questions

Common questions about neodymium(III) chloride, answered from cross-validated data.

What is NdCl3?

Neodymium(III) chloride is a stable, insulating rare-earth salt used as a precursor for neodymium metal and chemical catalysts.

More questions
What is NdCl3 used for?
neodymium(III) chloride (NdCl3) is used in production of neodymium metal, precursor for organometallic catalysts, chemical synthesis intermediate, and laser material research.
What is the band gap of NdCl3?
neodymium(III) chloride (NdCl3) has a DFT-computed band gap of 4.30 eV across 13 reported structures.
Is NdCl3 a metal, semiconductor, or insulator?
With a wide band gap up to 4.30 eV it is an insulator / wide-band-gap material.
Is NdCl3 thermodynamically stable?
Yes — neodymium(III) chloride (NdCl3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NdCl3 are known?
13 structures of NdCl3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does NdCl3 contain?
neodymium(III) chloride (NdCl3) contains Cl and Nd (2 elements).
Where does the data for NdCl3 come from?
NdCl3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable halide, neodymium(III) chloride represents a foundational example of rare-earth chloride chemistry, serving as a benchmark for the synthesis and structural characterization of lanthanide-based insulating materials.

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

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