LiSiAg2
LiSiAg2 is a metastable semiconducting ternary compound consisting of lithium, silicon, and silver.
About LiSiAg2
LiSiAg2 is a complex ternary compound composed of lithium, silicon, and silver. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic alloys, making it a subject of interest for fundamental solid-state research.
Despite its metastable nature, the compound has been identified across multiple structural databases, reflecting a diverse landscape of potential atomic arrangements. Its unique elemental composition positions it as a specialized candidate for exploring ternary phase stability and electronic behavior in multi-component systems.
Key Properties
Cross-validated computational properties for LiSiAg2, 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 LiSiAg2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0313 | -3.348 | 6.88 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0950 | -3.284 | 6.59 |
| F-43m (No. 216) | cubic | 0.00 | 0.1466 | -3.233 | 6.41 |
| Immm (No. 71) | orthorhombic | 0.66 | 1.6553 | -1.724 | 0.48 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.64 |
| F-43m (No. 216) | Cubic | — | — | — | 6.63 |
| F-43m (No. 216) | Cubic | — | — | — | 6.41 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.86 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.59 |
| F-43m (No. 216) | Cubic | — | — | — | 6.61 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.87 |
Frequently Asked Questions
Common questions about LiSiAg2, answered from cross-validated data.
What is LiSiAg2?
LiSiAg2 is a metastable semiconducting ternary compound consisting of lithium, silicon, and silver.
What is the band gap of LiSiAg2?
Is LiSiAg2 a metal, semiconductor, or insulator?
Is LiSiAg2 thermodynamically stable?
What is the crystal structure of LiSiAg2?
What is the density of LiSiAg2?
How many polymorphs of LiSiAg2 are known?
What elements does LiSiAg2 contain?
Where does the data for LiSiAg2 come from?
How It Compares
As a specialized ternary compound, LiSiAg2 represents a distinct niche in materials science where the interplay between alkali, metalloid, and transition metal elements creates complex structural landscapes. Unlike more common binary semiconductors, this material requires precise synthesis conditions to navigate its metastable state and achieve stable configurations.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze LiSiAg2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →