LiTe3
Lithium tritelluride is a binary inorganic compound composed of lithium and tellurium. It is primarily studied in materials science research for its structural properties and potential applications in advanced electronic or semiconductor systems.
LiTe
Overview
Key Properties
Cross-validated computational properties for LiTe3, 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.
0.22–0.51 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
32
4 databases, 13 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiTe3, 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. |
|---|---|---|---|---|---|
| Im-3m (No. 229) | cubic | 0.22 | 0.0000 | -3.532 | 5.41 |
| P-3c1 (No. 165) | trigonal | 0.51 | 0.0049 | -20.110 | 5.42 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.2471 | -3.285 | 5.08 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.25 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.99 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 10.08 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 4.00 |
| P1 (No. 1) | Triclinic | — | — | — | 4.70 |
| P1 (No. 1) | Triclinic | — | — | — | 5.35 |
| P1 (No. 1) | Triclinic | — | — | — | 5.71 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.22 |
Uses
Applications
Where LiTe3 is used.
Materials science researchSemiconductor development studies
Reference
Frequently Asked Questions
Common questions about LiTe3, answered from cross-validated data.
What is LiTe3?
Lithium tritelluride is a binary inorganic compound composed of lithium and tellurium. It is primarily studied in materials science research for its structural properties and potential applications in advanced electronic or semiconductor systems.
More questions
What is LiTe3 used for?
LiTe3 is used in materials science research and semiconductor development studies.
What is the band gap of LiTe3?
LiTe3 has a DFT-computed band gap of 0.22–0.51 eV across 32 reported structures.
Is LiTe3 a metal, semiconductor, or insulator?
With a band gap up to 0.51 eV it is a semiconductor.
Is LiTe3 thermodynamically stable?
Yes — LiTe3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiTe3?
The lowest-energy reported polymorph of LiTe3 is cubic symmetry, space group Im-3m (No. 229).
What is the density of LiTe3?
The computed density of the ground-state structure of LiTe3 is 5.41 g/cm³.
How many polymorphs of LiTe3 are known?
32 structures of LiTe3 are reported across 4 databases, spanning 13 distinct space groups.
What elements does LiTe3 contain?
LiTe3 contains Li and Te (2 elements).
Where does the data for LiTe3 come from?
LiTe3 data is cross-referenced from materials_project, mpaloe, nomad, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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