Y2Cl3
Yttrium sesquichloride
Yttrium sesquichloride is a reduced halide compound characterized by its unique metal-metal bonding structure. It is primarily utilized in solid-state chemistry research to explore the properties of low-dimensional metal clusters and as a precursor for synthesizing other complex yttrium-based materials.
Key Properties
Cross-validated computational properties for Y2Cl3, 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 Y2Cl3, 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 | 0.76 | 0.0000 | -13.910 | 3.59 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.71 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.76 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.61 |
| P1 (No. 1) | Triclinic | — | — | — | 3.25 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.89 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.57 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.13 |
| P4mm (No. 99) | Tetragonal | — | — | — | 3.63 |
| P4mm (No. 99) | Tetragonal | — | — | — | 3.41 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.39 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.43 |
Applications
Where Y2Cl3 is used.
Frequently Asked Questions
Common questions about Y2Cl3, answered from cross-validated data.
What is Y2Cl3?
Yttrium sesquichloride is a reduced halide compound characterized by its unique metal-metal bonding structure. It is primarily utilized in solid-state chemistry research to explore the properties of low-dimensional metal clusters and as a precursor for synthesizing other complex yttrium-based materials.
What is Y2Cl3 used for?
What is the band gap of Y2Cl3?
Is Y2Cl3 a metal, semiconductor, or insulator?
Is Y2Cl3 thermodynamically stable?
What is the crystal structure of Y2Cl3?
What is the density of Y2Cl3?
How many polymorphs of Y2Cl3 are known?
What elements does Y2Cl3 contain?
Where does the data for Y2Cl3 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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