Cl6Tm2
thulium(III) chloride · thulium trichloride
Thulium(III) chloride is a stable, insulating rare-earth halide used as a precursor in the synthesis of advanced optical and electronic materials.
About thulium(III) chloride
Thulium(III) chloride is a thermodynamically stable inorganic halide featuring the rare-earth element thulium. As a wide-gap insulating material, it exhibits distinct electronic properties characteristic of trivalent lanthanide halides, making it a subject of interest in solid-state chemistry and materials science.
Its structural versatility is highlighted by multiple reported configurations across various databases. This compound serves as a fundamental building block for synthesizing more complex thulium-based materials, particularly those utilized in specialized optical and electronic applications where stable halide frameworks are required.
Key Properties
Cross-validated computational properties for thulium(III) chloride, 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.
Reported Structures
Lowest-energy structures reported for Cl6Tm2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| R-3c (No. 167) | trigonal | 4.92 | 0.0000 | -15.907 | 4.22 |
| — | — | — | — | — | 3.37 |
| — | — | — | — | — | 3.37 |
| — | — | — | — | — | 3.35 |
| R-3c (No. 167) | — | — | — | — | — |
Applications
Where thulium(III) chloride is used.
Frequently Asked Questions
Common questions about thulium(III) chloride, answered from cross-validated data.
What is Cl6Tm2?
Thulium(III) chloride is a stable, insulating rare-earth halide used as a precursor in the synthesis of advanced optical and electronic materials.
What is Cl6Tm2 used for?
What is the band gap of Cl6Tm2?
Is Cl6Tm2 a metal, semiconductor, or insulator?
Is Cl6Tm2 thermodynamically stable?
What is the crystal structure of Cl6Tm2?
What is the density of Cl6Tm2?
How many polymorphs of Cl6Tm2 are known?
What elements does Cl6Tm2 contain?
Where does the data for Cl6Tm2 come from?
How It Compares
As a standalone representative of the rare-earth halide class, this compound demonstrates high thermodynamic stability on the convex hull. It serves as a primary reference point for understanding the structural behavior and insulating nature of heavy lanthanide chlorides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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