Li2Ti2S5
Li2Ti2S5 is a metastable semiconducting ternary sulfide compound composed of lithium, titanium, and sulfur.
About Li2Ti2S5
Li2Ti2S5 is a ternary sulfide compound composed of lithium, titanium, and sulfur. As a semiconducting material, it represents a complex arrangement of elements that has garnered interest within the scientific community for its unique electronic properties.
Because it exists in a metastable state, this compound is a subject of ongoing structural investigation. Researchers study its various configurations to understand how its atomic arrangement influences its behavior, particularly in the context of advanced energy storage and solid-state ionics.
Key Properties
Cross-validated computational properties for Li2Ti2S5, 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 Li2Ti2S5, 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 | 1.21 | 0.0704 | -5.992 | 2.52 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.52 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.55 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.54 |
Applications
Where Li2Ti2S5 is used.
Frequently Asked Questions
Common questions about Li2Ti2S5, answered from cross-validated data.
What is Li2Ti2S5?
Li2Ti2S5 is a metastable semiconducting ternary sulfide compound composed of lithium, titanium, and sulfur.
What is Li2Ti2S5 used for?
What is the band gap of Li2Ti2S5?
Is Li2Ti2S5 a metal, semiconductor, or insulator?
Is Li2Ti2S5 thermodynamically stable?
What is the crystal structure of Li2Ti2S5?
What is the density of Li2Ti2S5?
How many polymorphs of Li2Ti2S5 are known?
What elements does Li2Ti2S5 contain?
Where does the data for Li2Ti2S5 come from?
How It Compares
As a member of the ternary lithium-titanium-sulfur system, Li2Ti2S5 occupies a specific niche where structural metastability defines its research profile. Unlike more common, highly stable battery materials, this compound is studied for its distinct phase landscape and the challenges associated with its synthesis and long-term structural integrity.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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