ScCl3

Scandium(III) chloride · Scandium trichloride

Scandium(III) chloride is an inorganic compound that serves as a primary source for the production of metallic scandium. It is frequently utilized as a precursor in chemical synthesis and as a component in specialized lighting technologies.

ClSc
Crystal structure of ScCl3 (trigonal, R-3 (No. 148))
Ground-state structure · Materials Project
Overview

Key Properties

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

Band Gap

3.87 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

114
3 databases, 24 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for ScCl3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3 (No. 148)trigonal3.870.0000-9.8072.32
P-1 (No. 2)Triclinic2.67
C2/m (No. 12)Monoclinic2.52
P4mm (No. 99)Tetragonal2.33
P4mm (No. 99)Tetragonal2.42
P4mm (No. 99)Tetragonal2.47
Cm (No. 8)Monoclinic3.64
Cm (No. 8)Monoclinic3.07
Cm (No. 8)Monoclinic2.81
C2/m (No. 12)Monoclinic5.03
Immm (No. 71)Orthorhombic2.36
C2/m (No. 12)Monoclinic2.38
Uses

Applications

Where Scandium(III) chloride is used.

Production of scandium metalCatalyst in organic synthesisComponent in high-intensity discharge lampsPrecursor for scandium-based materials
Reference

Frequently Asked Questions

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

What is ScCl3?

Scandium(III) chloride is an inorganic compound that serves as a primary source for the production of metallic scandium. It is frequently utilized as a precursor in chemical synthesis and as a component in specialized lighting technologies.

More questions
What is ScCl3 used for?
Scandium(III) chloride (ScCl3) is used in production of scandium metal, catalyst in organic synthesis, component in high-intensity discharge lamps, and precursor for scandium-based materials.
What is the band gap of ScCl3?
Scandium(III) chloride (ScCl3) has a DFT-computed band gap of 3.87 eV across 114 reported structures.
Is ScCl3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.87 eV it is an insulator / wide-band-gap material.
Is ScCl3 thermodynamically stable?
Yes — Scandium(III) chloride (ScCl3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ScCl3?
The lowest-energy reported polymorph of Scandium(III) chloride (ScCl3) is trigonal symmetry, space group R-3 (No. 148).
What is the density of ScCl3?
The computed density of the ground-state structure of Scandium(III) chloride (ScCl3) is 2.32 g/cm³.
How many polymorphs of ScCl3 are known?
114 structures of ScCl3 are reported across 3 databases, spanning 24 distinct space groups.
What elements does ScCl3 contain?
Scandium(III) chloride (ScCl3) contains Cl and Sc (2 elements).
Where does the data for ScCl3 come from?
ScCl3 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.

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