AgSe
AgSe is a metallic silver selenide compound characterized by its high structural diversity and potential for synthesis.
About AgSe
AgSe is a metallic compound composed of silver and selenium. Its electronic character suggests high conductivity, making it an interesting candidate for electronic and optoelectronic material studies.
As a near-hull material, it is considered thermodynamically accessible and synthesizable. The compound is highly notable for its structural complexity, with dozens of reported configurations across various databases, marking it as a significant subject for materials discovery.
Key Properties
Cross-validated computational properties for AgSe, aggregated across 6 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AgSe. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for AgSe, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0110 | -0.057 | — |
| — | — | 0.00 | 0.0531 | -0.015 | — |
| — | — | 0.00 | 0.0531 | -0.015 | — |
| — | — | 0.00 | 0.0894 | 0.021 | — |
| — | — | 0.00 | 0.0911 | 0.023 | — |
| F-43m (No. 216) | cubic | 0.00 | 0.1037 | -3.312 | 5.81 |
| — | — | 0.00 | 0.1221 | 0.054 | — |
| — | — | 0.00 | 0.1256 | 0.058 | — |
| — | — | 0.00 | 0.1491 | 0.081 | — |
| F-43m (No. 216) | cubic | 0.00 | 0.1734 | 0.125 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.2181 | 0.169 | — |
| — | — | 0.00 | 0.2287 | 0.161 | — |
Applications
Where AgSe is used.
Frequently Asked Questions
Common questions about AgSe, answered from cross-validated data.
What is AgSe?
AgSe is a metallic silver selenide compound characterized by its high structural diversity and potential for synthesis.
What is AgSe used for?
What is the band gap of AgSe?
Is AgSe a metal, semiconductor, or insulator?
Is AgSe thermodynamically stable?
What is the crystal structure of AgSe?
What is the density of AgSe?
How many polymorphs of AgSe are known?
What elements does AgSe contain?
Where does the data for AgSe come from?
How It Compares
As a distinct binary chalcogenide, AgSe occupies a unique position in materials science due to its metallic nature and high structural polymorphism, serving as a primary reference point for understanding silver-selenium phase behavior.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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