Li6SbS2
Li6SbS2 is a metastable, semiconducting lithium-antimony-sulfide compound investigated for its potential utility in advanced solid-state energy storage systems.
About Li6SbS2
Li6SbS2 is a complex lithium-antimony-sulfide compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural configuration within the landscape of lithium-based chalcogenides, offering researchers a distinct platform for studying ion transport and electronic behavior.
This material is of significant interest in the field of solid-state ionics and energy materials science. Its specific composition and metastable state make it a subject of investigation for potential applications in next-generation battery technologies, where structural stability and electronic properties are critical for performance.
Key Properties
Cross-validated computational properties for Li6SbS2, 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 Li6SbS2, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0639 | -3.802 | 2.38 |
| P21/c (No. 14) | monoclinic | 1.14 | 0.0993 | -3.766 | 2.29 |
| C2/c (No. 15) | monoclinic | 0.80 | 0.1096 | -3.756 | 2.18 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.18 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.21 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 2.38 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 2.43 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.23 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 2.41 |
Applications
Where Li6SbS2 is used.
Frequently Asked Questions
Common questions about Li6SbS2, answered from cross-validated data.
What is Li6SbS2?
Li6SbS2 is a metastable, semiconducting lithium-antimony-sulfide compound investigated for its potential utility in advanced solid-state energy storage systems.
What is Li6SbS2 used for?
What is the band gap of Li6SbS2?
Is Li6SbS2 a metal, semiconductor, or insulator?
Is Li6SbS2 thermodynamically stable?
What is the crystal structure of Li6SbS2?
What is the density of Li6SbS2?
How many polymorphs of Li6SbS2 are known?
What elements does Li6SbS2 contain?
Where does the data for Li6SbS2 come from?
How It Compares
As a specialized lithium-antimony-sulfide, Li6SbS2 serves as a unique entry in the broader family of lithium-sulfur-based materials. While many compounds in this class are explored for their ionic conductivity, this specific stoichiometry provides a distinct structural framework that differentiates it from more common, highly stable lithium sulfides.
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.
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