Li2Te
Li2Te is a stable semiconducting compound composed of lithium and tellurium.
About Li2Te
Li2Te is a binary lithium telluride that exists as a thermodynamically stable phase on the convex hull. As a semiconducting material, it represents a significant point of interest for researchers investigating the intersection of alkali metals and chalcogens.
With a high degree of data richness and numerous reported structural configurations, this compound serves as a foundational subject for understanding phase stability and electronic behavior in lithium-based systems.
Key Properties
Cross-validated computational properties for Li2Te, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Li2Te. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
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. |
|---|---|---|---|---|---|
| — | — | 2.61 | 0.0000 | -1.043 | — |
| Fm-3m (No. 225) | cubic | 2.60 | 0.0000 | -1.112 | — |
| Fm-3m (No. 225) | cubic | 2.60 | 0.0000 | -1.112 | — |
| Fm-3m (No. 225) | cubic | 2.49 | 0.0000 | -3.498 | 3.40 |
| — | — | 2.68 | 0.0032 | -1.040 | — |
| — | — | 2.45 | 0.0413 | -1.002 | — |
| — | — | 2.45 | 0.0457 | -0.998 | — |
| — | — | 2.08 | 0.0556 | -0.988 | — |
| — | — | 2.30 | 0.0802 | -0.963 | — |
| P2/m (No. 10) | monoclinic | 2.00 | 0.2627 | -0.849 | — |
| — | — | 3.51 | 0.3333 | -0.710 | — |
| P-1 (No. 2) | triclinic | 0.00 | 0.5196 | -0.592 | — |
Applications
Where Li2Te is used.
Frequently Asked Questions
Common questions about Li2Te, answered from cross-validated data.
What is Li2Te?
Li2Te is a stable semiconducting compound composed of lithium and tellurium.
What is Li2Te used for?
What is the band gap of Li2Te?
Is Li2Te a metal, semiconductor, or insulator?
Is Li2Te thermodynamically stable?
What is the crystal structure of Li2Te?
How many polymorphs of Li2Te are known?
What elements does Li2Te contain?
Where does the data for Li2Te come from?
How It Compares
As a standalone binary compound within its specific chemical space, Li2Te serves as a primary reference point for investigating the structural and electronic characteristics of lithium-tellurium systems.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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