LiSbS
LiSbS is a stable, semiconducting ternary sulfide compound composed of lithium, antimony, and sulfur.
About LiSbS
LiSbS is a ternary sulfide compound composed of lithium, antimony, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust configuration within its chemical system, making it a significant subject for structural analysis and materials research.
Exhibiting semiconducting electronic behavior, this compound is of interest for its potential utility in optoelectronic or electrochemical applications. Its structural complexity is highlighted by the significant number of reported configurations found across various material databases, indicating a rich landscape for further investigation.
Key Properties
Cross-validated computational properties for LiSbS, 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 LiSbS, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.39 | 0.0000 | -4.345 | 3.70 |
| Pca21 (No. 29) | orthorhombic | 0.40 | 0.0153 | -4.330 | 3.77 |
| P21/m (No. 11) | monoclinic | 1.09 | 0.0215 | -12.880 | 3.81 |
| Pca21 (No. 29) | Orthorhombic | — | — | — | 3.77 |
| Pca21 (No. 29) | Orthorhombic | — | — | — | 3.83 |
| Pca21 (No. 29) | Orthorhombic | — | — | — | 3.82 |
| P1 (No. 1) | Triclinic | — | — | — | 4.30 |
| P1 (No. 1) | Triclinic | — | — | — | 3.80 |
| P4mm (No. 99) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.42 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.07 |
| Pmm2 (No. 25) | — | — | — | — | — |
Applications
Where LiSbS is used.
Frequently Asked Questions
Common questions about LiSbS, answered from cross-validated data.
What is LiSbS?
LiSbS is a stable, semiconducting ternary sulfide compound composed of lithium, antimony, and sulfur.
What is LiSbS used for?
What is the band gap of LiSbS?
Is LiSbS a metal, semiconductor, or insulator?
Is LiSbS thermodynamically stable?
What is the crystal structure of LiSbS?
What is the density of LiSbS?
How many polymorphs of LiSbS are known?
What elements does LiSbS contain?
Where does the data for LiSbS come from?
How It Compares
As a distinct ternary sulfide, LiSbS serves as a foundational example of lithium-antimony-sulfur chemistry. It occupies a stable position within the chemical space, providing a benchmark for understanding how the integration of alkali metals with pnictogens and chalcogens influences electronic properties.
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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