B4Li4S10
B4Li4S10 is a stable, semiconducting lithium borosulfide compound investigated for its potential role in solid-state battery electrolytes.
About B4Li4S10
B4Li4S10 is a complex lithium borosulfide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within the lithium-boron-sulfur chemical space, making it a subject of interest for advanced electrolyte research.
Its structural integrity and composition suggest potential utility in solid-state battery technologies where ionic conductivity and chemical stability are paramount. The compound is recognized for its well-defined structural characteristics across multiple databases, highlighting its significance in materials discovery for next-generation energy systems.
Key Properties
Cross-validated computational properties for B4Li4S10, 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 B4Li4S10, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 2.44 | 0.0000 | -5.203 | 1.83 |
| — | — | — | — | — | 1.76 |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where B4Li4S10 is used.
Frequently Asked Questions
Common questions about B4Li4S10, answered from cross-validated data.
What is B4Li4S10?
B4Li4S10 is a stable, semiconducting lithium borosulfide compound investigated for its potential role in solid-state battery electrolytes.
What is B4Li4S10 used for?
What is the band gap of B4Li4S10?
Is B4Li4S10 a metal, semiconductor, or insulator?
Is B4Li4S10 thermodynamically stable?
What is the crystal structure of B4Li4S10?
What is the density of B4Li4S10?
How many polymorphs of B4Li4S10 are known?
What elements does B4Li4S10 contain?
Where does the data for B4Li4S10 come from?
How It Compares
As a distinct member of the lithium borosulfide family, B4Li4S10 serves as a stable reference point for exploring the interplay between boron-sulfur frameworks and lithium-ion mobility. Its position on the convex hull distinguishes it as a highly favorable material candidate compared to metastable phases that may be prone to decomposition during electrochemical cycling.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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