Li8SbS6
Li8SbS6 is a metastable, semimetallic lithium-antimony-sulfide compound studied for its unique electronic properties.
About Li8SbS6
Li8SbS6 is a complex lithium-antimony-sulfide compound characterized by a near-zero-gap electronic structure. Its semimetallic nature makes it a subject of significant interest for researchers investigating charge transport mechanisms in solid-state systems.
As a metastable material, it represents a unique phase within the lithium-sulfide chemical space. Its existence across multiple reported structures highlights its structural complexity and the ongoing efforts to stabilize such phases for practical implementation in high-performance electrochemical devices.
Key Properties
Cross-validated computational properties for Li8SbS6, 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 Li8SbS6, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.00 | 0.0596 | -4.207 | 2.38 |
| P63cm (No. 185) | hexagonal | 0.07 | 0.0637 | -4.203 | 2.11 |
| P63cm (No. 185) | Hexagonal | — | — | — | 2.11 |
| P63cm (No. 185) | Hexagonal | — | — | — | 2.15 |
| R-3 (No. 148) | Trigonal | — | — | — | 2.43 |
| R-3 (No. 148) | Trigonal | — | — | — | 2.42 |
| R-3 (No. 148) | Trigonal | — | — | — | 2.38 |
| P63cm (No. 185) | Hexagonal | — | — | — | 2.15 |
| R-3 (No. 148) | — | — | — | — | — |
Applications
Where Li8SbS6 is used.
Frequently Asked Questions
Common questions about Li8SbS6, answered from cross-validated data.
What is Li8SbS6?
Li8SbS6 is a metastable, semimetallic lithium-antimony-sulfide compound studied for its unique electronic properties.
What is Li8SbS6 used for?
What is the band gap of Li8SbS6?
Is Li8SbS6 a metal, semiconductor, or insulator?
Is Li8SbS6 thermodynamically stable?
What is the crystal structure of Li8SbS6?
What is the density of Li8SbS6?
How many polymorphs of Li8SbS6 are known?
What elements does Li8SbS6 contain?
Where does the data for Li8SbS6 come from?
How It Compares
As a distinct lithium-antimony-sulfide, Li8SbS6 occupies a specialized niche within the broader family of lithium-based chalcogenides. It serves as a key example of how subtle variations in stoichiometry and local coordination can lead to metastable phases with semimetallic characteristics, distinguishing it from more common, wide-gap insulating lithium sulfides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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