Ge4Li16S16
Ge4Li16S16 is a thermodynamically stable, semiconducting sulfide solid electrolyte used in the study of advanced battery materials.
About Ge4Li16S16
Ge4Li16S16 is a complex sulfide solid electrolyte that stands out for its thermodynamic stability on the convex hull. As a semiconducting material, it represents a significant structural candidate for researchers investigating ion-conducting pathways in solid-state energy storage systems.
Its structural diversity, supported by multiple reported configurations across databases, makes it a subject of interest for optimizing lithium-ion transport. By leveraging the unique coordination environments provided by the germanium and sulfur framework, this compound serves as a critical model for developing high-performance battery components.
Key Properties
Cross-validated computational properties for Ge4Li16S16, 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 Ge4Li16S16, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 2.52 | 0.0000 | -4.485 | 2.27 |
| Pnma (No. 62) | orthorhombic | 2.71 | 0.0001 | -4.485 | 2.27 |
| Pna21 (No. 33) | orthorhombic | 2.51 | 0.0261 | -4.459 | 2.22 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 2.23 |
Applications
Where Ge4Li16S16 is used.
Frequently Asked Questions
Common questions about Ge4Li16S16, answered from cross-validated data.
What is Ge4Li16S16?
Ge4Li16S16 is a thermodynamically stable, semiconducting sulfide solid electrolyte used in the study of advanced battery materials.
What is Ge4Li16S16 used for?
What is the band gap of Ge4Li16S16?
Is Ge4Li16S16 a metal, semiconductor, or insulator?
Is Ge4Li16S16 thermodynamically stable?
What is the crystal structure of Ge4Li16S16?
What is the density of Ge4Li16S16?
How many polymorphs of Ge4Li16S16 are known?
What elements does Ge4Li16S16 contain?
Where does the data for Ge4Li16S16 come from?
How It Compares
Within the sulfide solid electrolytes class.
Within the diverse family of sulfide solid electrolytes, Ge4Li16S16 occupies a distinct niche compared to structural analogs like Li2ZnGeS4 or the more complex In-based systems. While many members of this class are explored for their specific ionic conductivity metrics, Ge4Li16S16 is notable for its position on the convex hull, indicating a robust thermodynamic profile that contrasts with more metastable or highly doped variants.
Related Compounds
Other Sulfide Solid Electrolytes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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