LiAuS
LiAuS is a stable, semiconducting ternary compound consisting of lithium, gold, and sulfur.
About LiAuS
LiAuS is a distinct ternary compound composed of lithium, gold, and sulfur. As a thermodynamically stable material located on the convex hull, it represents a robust structural configuration that is of significant interest for fundamental solid-state research.
The electronic character of LiAuS is defined as semiconducting, positioning it as a candidate for specialized electronic or optoelectronic applications. Its structural integrity and chemical composition make it a noteworthy subject for those investigating the interplay between noble metals and chalcogenides in stable crystalline lattices.
Key Properties
Cross-validated computational properties for LiAuS, 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 LiAuS, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 1.58 | 0.0000 | -3.996 | 6.89 |
| Fddd (No. 70) | — | — | — | — | — |
| Fddd (No. 70) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Fddd (No. 70) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.44 |
Applications
Where LiAuS is used.
Frequently Asked Questions
Common questions about LiAuS, answered from cross-validated data.
What is LiAuS?
LiAuS is a stable, semiconducting ternary compound consisting of lithium, gold, and sulfur.
What is LiAuS used for?
What is the band gap of LiAuS?
Is LiAuS a metal, semiconductor, or insulator?
Is LiAuS thermodynamically stable?
What is the crystal structure of LiAuS?
What is the density of LiAuS?
How many polymorphs of LiAuS are known?
What elements does LiAuS contain?
Where does the data for LiAuS come from?
How It Compares
As a unique ternary chalcogenide, LiAuS occupies a specialized niche in materials science. Unlike more common binary sulfides, its inclusion of gold provides a distinct electronic profile, allowing it to serve as a foundational reference point for exploring the stability and semiconducting behavior of complex lithium-gold-sulfur systems.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze LiAuS in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →