LiSbSe2
LiSbSe2 is a semiconducting ternary chalcogenide material investigated for its potential utility in thermoelectric energy conversion technologies.
About LiSbSe2
LiSbSe2 is a semiconducting ternary compound belonging to the broader family of chalcogenide materials. Its structural characteristics and near-hull thermodynamic stability suggest it is a viable candidate for experimental synthesis and exploration in solid-state chemistry. As a member of the chalcogenide class, this material is of significant interest for its potential in thermoelectric applications, where efficient conversion between thermal and electrical energy is required. Its electronic properties are characteristic of semiconductors, making it a subject of study for next-generation energy materials.
Key Properties
Cross-validated computational properties for LiSbSe2, aggregated across 4 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 LiSbSe2, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 0.23 | 0.0078 | -14.893 | 5.19 |
| P4/mmm (No. 123) | tetragonal | 0.33 | 0.0442 | -14.857 | 5.12 |
| I41/amd (No. 141) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 4.95 |
| R-3m (No. 166) | — | — | — | — | — |
| — | — | — | — | — | 4.95 |
| — | — | — | — | — | 4.98 |
| — | — | — | — | — | 4.50 |
| — | — | — | — | — | 4.80 |
| — | — | — | — | — | 4.70 |
| — | — | — | — | — | 4.59 |
Applications
Where LiSbSe2 is used.
Frequently Asked Questions
Common questions about LiSbSe2, answered from cross-validated data.
What is LiSbSe2?
LiSbSe2 is a semiconducting ternary chalcogenide material investigated for its potential utility in thermoelectric energy conversion technologies.
What is LiSbSe2 used for?
What is the band gap of LiSbSe2?
Is LiSbSe2 a metal, semiconductor, or insulator?
Is LiSbSe2 thermodynamically stable?
What is the crystal structure of LiSbSe2?
What is the density of LiSbSe2?
How many polymorphs of LiSbSe2 are known?
What elements does LiSbSe2 contain?
Where does the data for LiSbSe2 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the diverse landscape of bismuth and antimony chalcogenides, LiSbSe2 occupies a distinct niche compared to well-established benchmarks like Bi2Te3 or Sb2Se3. While many of its siblings are binary compounds, the inclusion of lithium in the lattice differentiates its electronic and structural behavior, positioning it as a unique ternary alternative to complex systems like Ge2Sb2Te5 or AgSbTe2.
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
Analyze LiSbSe2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →