AgLi2Sb
AgLi2Sb is a thermodynamically stable, semiconducting ternary intermetallic compound composed of silver, lithium, and antimony.
About AgLi2Sb
AgLi2Sb is a distinct intermetallic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of silver, lithium, and antimony atoms.
This material is of significant interest to researchers investigating complex ternary systems. Its stability and electronic properties make it a subject of ongoing study for potential applications in specialized electronic or optoelectronic device development.
Key Properties
Cross-validated computational properties for AgLi2Sb, aggregated across 4 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 AgLi2Sb. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for AgLi2Sb, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for AgLi2Sb, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.15 | 0.0000 | -13.477 | 5.61 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 5.42 |
| F-43m (No. 216) | cubic | — | — | — | 5.67 |
| Fm-3m (No. 225) | cubic | — | — | — | — |
| Fd-3m (No. 227) | cubic | — | — | — | 5.66 |
Applications
Where AgLi2Sb is used.
Frequently Asked Questions
Common questions about AgLi2Sb, answered from cross-validated data.
What is AgLi2Sb?
AgLi2Sb is a thermodynamically stable, semiconducting ternary intermetallic compound composed of silver, lithium, and antimony.
What is AgLi2Sb used for?
What is the band gap of AgLi2Sb?
Is AgLi2Sb a metal, semiconductor, or insulator?
Is AgLi2Sb thermodynamically stable?
What is the crystal structure of AgLi2Sb?
What is the density of AgLi2Sb?
How many polymorphs of AgLi2Sb are known?
What elements does AgLi2Sb contain?
Where does the data for AgLi2Sb come from?
How It Compares
As a unique ternary intermetallic, AgLi2Sb occupies a specific niche in materials science where its stable structural configuration distinguishes it from less ordered or metastable phases within similar elemental combinations.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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