Au1Li2Si1
Au1Li2Si1 is a thermodynamically stable semiconducting ternary compound containing gold, lithium, and silicon.
About Au1Li2Si1
Au1Li2Si1 is a ternary compound composed of gold, lithium, and silicon. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these three distinct elements.
This material exhibits semiconducting electronic characteristics, making it an intriguing subject for research into specialized electronic and optoelectronic applications. Its stability suggests potential for integration into complex material systems where structural integrity is paramount.
Key Properties
Cross-validated computational properties for Au1Li2Si1, 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 Au1Li2Si1, 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 | 0.00 | 0.0000 | -3.586 | 7.23 |
| Immm (No. 71) | orthorhombic | 0.25 | 1.5498 | -2.036 | 0.50 |
| Cmm2 (No. 35) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Au1Li2Si1, answered from cross-validated data.
What is Au1Li2Si1?
Au1Li2Si1 is a thermodynamically stable semiconducting ternary compound containing gold, lithium, and silicon.
What is the band gap of Au1Li2Si1?
Is Au1Li2Si1 a metal, semiconductor, or insulator?
Is Au1Li2Si1 thermodynamically stable?
What is the crystal structure of Au1Li2Si1?
What is the density of Au1Li2Si1?
How many polymorphs of Au1Li2Si1 are known?
What elements does Au1Li2Si1 contain?
Where does the data for Au1Li2Si1 come from?
How It Compares
As a unique ternary phase, Au1Li2Si1 occupies a distinct position in materials research, serving as a stable example of how gold, lithium, and silicon can combine to form a semiconducting lattice without the need for external stabilization.
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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