Li2ZnGeS4
Li2ZnGeS4 is a stable, semiconducting sulfide material engineered for use as a solid electrolyte in high-performance battery applications.
About Li2ZnGeS4
Li2ZnGeS4 is a quaternary sulfide solid electrolyte characterized by its semiconducting electronic nature. As a material located on the convex hull, it exhibits significant thermodynamic stability, which is a critical attribute for the long-term structural integrity of components within advanced electrochemical energy storage systems.
This compound plays a vital role in the ongoing development of safer, high-performance battery architectures. By serving as a solid-state ion conductor, it helps address the safety and energy density limitations inherent in conventional liquid-electrolyte battery designs.
Key Properties
Cross-validated computational properties for Li2ZnGeS4, 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 Li2ZnGeS4, 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. |
|---|---|---|---|---|---|
| Pmn21 (No. 31) | orthorhombic | 2.18 | 0.0000 | -4.417 | 2.83 |
| No. 0 | unknown | — | — | — | 1.47 |
| No. 0 | unknown | — | — | — | 0.73 |
| Pmn21 (No. 31) | — | — | — | — | — |
Applications
Where Li2ZnGeS4 is used.
Frequently Asked Questions
Common questions about Li2ZnGeS4, answered from cross-validated data.
What is Li2ZnGeS4?
Li2ZnGeS4 is a stable, semiconducting sulfide material engineered for use as a solid electrolyte in high-performance battery applications.
What is Li2ZnGeS4 used for?
What is the band gap of Li2ZnGeS4?
Is Li2ZnGeS4 a metal, semiconductor, or insulator?
Is Li2ZnGeS4 thermodynamically stable?
What is the crystal structure of Li2ZnGeS4?
What is the density of Li2ZnGeS4?
How many polymorphs of Li2ZnGeS4 are known?
What elements does Li2ZnGeS4 contain?
Where does the data for Li2ZnGeS4 come from?
How It Compares
Within the sulfide solid electrolytes class.
Within the diverse family of sulfide solid electrolytes, Li2ZnGeS4 stands out for its structural stability compared to more complex or volatile members like Li14P6S22. While many sulfide electrolytes are prone to rapid degradation or synthesis challenges, the inclusion of zinc and germanium in this specific lattice provides a robust framework that distinguishes it from other ternary or quaternary variants such as LiZnPS4.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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