AgCl2Y
AgCl2Y is a semiconducting ternary compound consisting of silver, chlorine, and yttrium that shows promise for experimental synthesis.
About AgCl2Y
AgCl2Y is a complex ternary inorganic compound composed of silver, chlorine, and yttrium. Its electronic character classifies it as a semiconductor, positioning it as a subject of interest for specialized electronic applications where specific charge carrier properties are required. The material is considered near-hull, indicating that it is thermodynamically favorable enough to be a candidate for experimental synthesis. With multiple reported structures across databases, it represents a stable configuration within its chemical system that warrants further investigation for functional device integration.
Key Properties
Cross-validated computational properties for AgCl2Y, 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 AgCl2Y, 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-3 (No. 148) | trigonal | 2.81 | 0.0105 | -13.473 | 4.40 |
| F-43m (No. 216) | — | 0.73 | — | — | — |
| — | — | — | — | — | 5.00 |
| — | — | — | — | — | 3.27 |
| — | — | — | — | — | 4.38 |
Applications
Where AgCl2Y is used.
Frequently Asked Questions
Common questions about AgCl2Y, answered from cross-validated data.
What is AgCl2Y?
AgCl2Y is a semiconducting ternary compound consisting of silver, chlorine, and yttrium that shows promise for experimental synthesis.
What is AgCl2Y used for?
What is the band gap of AgCl2Y?
Is AgCl2Y a metal, semiconductor, or insulator?
Is AgCl2Y thermodynamically stable?
What is the crystal structure of AgCl2Y?
What is the density of AgCl2Y?
How many polymorphs of AgCl2Y are known?
What elements does AgCl2Y contain?
Where does the data for AgCl2Y come from?
How It Compares
As a unique ternary phase in this chemical system, AgCl2Y occupies a distinct niche by balancing its semiconducting nature with a structural stability that makes it a viable target for laboratory synthesis compared to more unstable, hypothetical configurations.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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