Ag1Al1Se2
Ag1Al1Se2 is a thermodynamically stable semiconducting compound composed of silver, aluminum, and selenium.
About Ag1Al1Se2
Ag1Al1Se2 is a ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust material configuration within its chemical system.
Its structural diversity is highlighted by numerous reported configurations, suggesting significant flexibility in how this material can be synthesized and utilized. This stability makes it a compelling candidate for fundamental research into semiconductor physics and potential optoelectronic integration.
Key Properties
Cross-validated computational properties for Ag1Al1Se2, aggregated across 2 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 Ag1Al1Se2, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 1.14 | 0.0000 | -14.921 | 4.94 |
| Cmmm (No. 65) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ag1Al1Se2 is used.
Frequently Asked Questions
Common questions about Ag1Al1Se2, answered from cross-validated data.
What is Ag1Al1Se2?
Ag1Al1Se2 is a thermodynamically stable semiconducting compound composed of silver, aluminum, and selenium.
What is Ag1Al1Se2 used for?
What is the band gap of Ag1Al1Se2?
Is Ag1Al1Se2 a metal, semiconductor, or insulator?
Is Ag1Al1Se2 thermodynamically stable?
What is the crystal structure of Ag1Al1Se2?
What is the density of Ag1Al1Se2?
How many polymorphs of Ag1Al1Se2 are known?
What elements does Ag1Al1Se2 contain?
Where does the data for Ag1Al1Se2 come from?
How It Compares
As a standalone entry in this specific chemical system, Ag1Al1Se2 serves as a primary reference point for understanding the stability and electronic behavior of silver-aluminum-selenide compounds.
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).
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