Ag2Ba2Se6Y2
Ag2Ba2Se6Y2 is a thermodynamically stable semiconducting compound composed of silver, barium, selenium, and yttrium.
About Ag2Ba2Se6Y2
Ag2Ba2Se6Y2 is a complex quaternary selenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within its chemical system. Its structural integrity makes it a subject of interest for researchers investigating the interplay between silver, barium, selenium, and yttrium in solid-state chemistry. The existence of multiple reported structures across various databases underscores its significance as a well-defined material in computational materials science. By providing a stable framework for electronic modulation, this compound serves as a valuable candidate for exploring specialized semiconductor applications where precise atomic positioning is required. Its stability suggests potential for integration into functional devices that demand consistent performance under varied conditions.
Key Properties
Cross-validated computational properties for Ag2Ba2Se6Y2, 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 Ag2Ba2Se6Y2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.33 | 0.0000 | -5.400 | 5.69 |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 4.64 |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where Ag2Ba2Se6Y2 is used.
Frequently Asked Questions
Common questions about Ag2Ba2Se6Y2, answered from cross-validated data.
What is Ag2Ba2Se6Y2?
Ag2Ba2Se6Y2 is a thermodynamically stable semiconducting compound composed of silver, barium, selenium, and yttrium.
What is Ag2Ba2Se6Y2 used for?
What is the band gap of Ag2Ba2Se6Y2?
Is Ag2Ba2Se6Y2 a metal, semiconductor, or insulator?
Is Ag2Ba2Se6Y2 thermodynamically stable?
What is the crystal structure of Ag2Ba2Se6Y2?
What is the density of Ag2Ba2Se6Y2?
How many polymorphs of Ag2Ba2Se6Y2 are known?
What elements does Ag2Ba2Se6Y2 contain?
Where does the data for Ag2Ba2Se6Y2 come from?
How It Compares
As a unique quaternary selenide, Ag2Ba2Se6Y2 occupies a specialized niche within the landscape of complex chalcogenides, serving as a stable reference point for future studies into multi-element semiconductor design.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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