YCl3
Yttrium(III) chloride · Yttrium trichloride
Yttrium(III) chloride is a white, water-soluble inorganic compound that serves as a primary precursor for the synthesis of other yttrium-based materials. It is widely utilized in chemical research and industrial processes to produce specialized ceramics, catalysts, and optical components.
Key Properties
Cross-validated computational properties for Yttrium(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 YCl3, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 4.93 | 0.0000 | -12.224 | 2.54 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.66 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.64 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.90 |
| P21 (No. 4) | Monoclinic | — | — | — | 2.93 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.45 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.10 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.50 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 3.11 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.11 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.22 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.17 |
Synthesis Routes
Literature-extracted synthesis procedures targeting YCl3.
Applications
Where Yttrium(III) chloride is used.
Frequently Asked Questions
Common questions about Yttrium(III) chloride, answered from cross-validated data.
What is YCl3?
Yttrium(III) chloride is a white, water-soluble inorganic compound that serves as a primary precursor for the synthesis of other yttrium-based materials. It is widely utilized in chemical research and industrial processes to produce specialized ceramics, catalysts, and optical components.
What is YCl3 used for?
What is the band gap of YCl3?
Is YCl3 a metal, semiconductor, or insulator?
Is YCl3 thermodynamically stable?
What is the crystal structure of YCl3?
What is the density of YCl3?
How many polymorphs of YCl3 are known?
How is YCl3 synthesized?
What elements does YCl3 contain?
Where does the data for YCl3 come from?
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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