Ag1Li2Zn1
Ag1Li2Zn1 is a semiconducting ternary intermetallic compound that is currently considered thermodynamically unstable.
About Ag1Li2Zn1
Ag1Li2Zn1 is a ternary intermetallic compound composed of silver, lithium, and zinc. It exhibits semiconducting electronic properties, distinguishing it from typical metallic alloys in this compositional space. Its structural complexity is highlighted by a significant number of reported configurations within material databases. As a material currently identified as residing above the thermodynamic hull, it is considered potentially unstable under standard conditions. This classification suggests that while it is a subject of computational interest, it may require specific synthetic pathways or stabilization techniques to realize in a practical laboratory setting.
Key Properties
Cross-validated computational properties for Ag1Li2Zn1, 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 Ag1Li2Zn1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.55 | 1.0694 | -7.891 | 0.34 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ag1Li2Zn1, answered from cross-validated data.
What is Ag1Li2Zn1?
Ag1Li2Zn1 is a semiconducting ternary intermetallic compound that is currently considered thermodynamically unstable.
What is the band gap of Ag1Li2Zn1?
Is Ag1Li2Zn1 a metal, semiconductor, or insulator?
Is Ag1Li2Zn1 thermodynamically stable?
What is the crystal structure of Ag1Li2Zn1?
What is the density of Ag1Li2Zn1?
How many polymorphs of Ag1Li2Zn1 are known?
What elements does Ag1Li2Zn1 contain?
Where does the data for Ag1Li2Zn1 come from?
How It Compares
As a unique ternary phase, Ag1Li2Zn1 represents a niche area of study within complex intermetallic systems. Without direct structural siblings in this specific class, it serves as a distinct case study for how the combination of noble metals and alkali elements influences electronic behavior in metastable phases.
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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