Li2Te
Lithium telluride
Lithium telluride is a binary inorganic compound composed of lithium and tellurium. It is primarily utilized in specialized research settings as a precursor for the synthesis of advanced semiconductor materials and thin-film devices.
LiTe
Overview
Key Properties
Cross-validated computational properties for Lithium telluride, 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.
2.49 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
46
3 databases, 12 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Li2Te, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 2.49 | 0.0000 | -3.498 | 3.40 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.63 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.37 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.65 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.47 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.35 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.96 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.67 |
| P1 (No. 1) | Triclinic | — | — | — | 2.47 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.40 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.42 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.50 |
Uses
Applications
Where Lithium telluride is used.
Semiconductor researchThin-film depositionMaterials science synthesis
Reference
Frequently Asked Questions
Common questions about Lithium telluride, answered from cross-validated data.
What is Li2Te?
Lithium telluride is a binary inorganic compound composed of lithium and tellurium. It is primarily utilized in specialized research settings as a precursor for the synthesis of advanced semiconductor materials and thin-film devices.
More questions
What is Li2Te used for?
Lithium telluride (Li2Te) is used in semiconductor research, thin-film deposition, and materials science synthesis.
What is the band gap of Li2Te?
Lithium telluride (Li2Te) has a DFT-computed band gap of 2.49 eV across 46 reported structures.
Is Li2Te a metal, semiconductor, or insulator?
With a band gap up to 2.49 eV it is a semiconductor.
Is Li2Te thermodynamically stable?
Yes — Lithium telluride (Li2Te) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Li2Te?
The lowest-energy reported polymorph of Lithium telluride (Li2Te) is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Li2Te?
The computed density of the ground-state structure of Lithium telluride (Li2Te) is 3.40 g/cm³.
How many polymorphs of Li2Te are known?
46 structures of Li2Te are reported across 3 databases, spanning 12 distinct space groups.
What elements does Li2Te contain?
Lithium telluride (Li2Te) contains Li and Te (2 elements).
Where does the data for Li2Te come from?
Li2Te data is cross-referenced from materials_project, mpaloe, jarvis.
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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