Li2V2S5
Li2V2S5 is a metastable semiconducting ternary sulfide compound containing lithium, vanadium, and sulfur.
About Li2V2S5
Li2V2S5 is a complex ternary sulfide composed of lithium, vanadium, and sulfur. As a semiconducting material, it represents an interesting subject for solid-state chemistry research, particularly regarding how its atomic arrangement influences electronic behavior.
Because this compound is classified as metastable, its synthesis and structural integrity are of significant interest to materials scientists. The existence of multiple reported structural variations across databases underscores its flexibility and the ongoing efforts to map its phase space.
Key Properties
Cross-validated computational properties for Li2V2S5, 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 Li2V2S5, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.14 | 0.0977 | -5.959 | 2.79 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.79 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.82 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.80 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Li2V2S5 is used.
Frequently Asked Questions
Common questions about Li2V2S5, answered from cross-validated data.
What is Li2V2S5?
Li2V2S5 is a metastable semiconducting ternary sulfide compound containing lithium, vanadium, and sulfur.
What is Li2V2S5 used for?
What is the band gap of Li2V2S5?
Is Li2V2S5 a metal, semiconductor, or insulator?
Is Li2V2S5 thermodynamically stable?
What is the crystal structure of Li2V2S5?
What is the density of Li2V2S5?
How many polymorphs of Li2V2S5 are known?
What elements does Li2V2S5 contain?
Where does the data for Li2V2S5 come from?
How It Compares
As a unique ternary sulfide, Li2V2S5 occupies a specialized niche in materials science. Without direct structural siblings in this specific class, it serves as a distinct case study for how lithium-vanadium-sulfur systems can adopt varied configurations, providing a benchmark for understanding metastable phase stability in complex chalcogenides.
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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