InLiTe2
This compound is a ternary chalcogenide material composed of indium, lithium, and tellurium. It is primarily studied for its potential role in advanced electronic and energy storage research.
Overview
Key Properties
Cross-validated computational properties for InLiTe2, 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.
1.38 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.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for InLiTe2, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 1.38 | 0.0000 | -3.576 | 4.70 |
| I4/mmm (No. 139) | — | — | — | — | — |
| — | — | — | — | — | 5.59 |
| — | — | — | — | — | 5.60 |
| — | — | — | — | — | 5.60 |
| — | — | — | — | — | 5.64 |
Uses
Applications
Where InLiTe2 is used.
Solid-state electrolyte researchSemiconductor material development
Reference
Frequently Asked Questions
Common questions about InLiTe2, answered from cross-validated data.
What is InLiTe2?
This compound is a ternary chalcogenide material composed of indium, lithium, and tellurium. It is primarily studied for its potential role in advanced electronic and energy storage research.
More questions
What is InLiTe2 used for?
InLiTe2 is used in solid-state electrolyte research and semiconductor material development.
What is the band gap of InLiTe2?
InLiTe2 has a DFT-computed band gap of 1.38 eV across 6 reported structures.
Is InLiTe2 a metal, semiconductor, or insulator?
With a band gap up to 1.38 eV it is a semiconductor.
Is InLiTe2 thermodynamically stable?
Yes — InLiTe2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of InLiTe2?
The lowest-energy reported polymorph of InLiTe2 is tetragonal symmetry, space group I-42d (No. 122).
What is the density of InLiTe2?
The computed density of the ground-state structure of InLiTe2 is 4.70 g/cm³.
How many polymorphs of InLiTe2 are known?
6 structures of InLiTe2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does InLiTe2 contain?
InLiTe2 contains In, Li, and Te (3 elements).
Where does the data for InLiTe2 come from?
InLiTe2 data is cross-referenced from materials_project, nomad, omat24.
Explore
Related Compounds
Other Phase-Change Memory Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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