InSe2Tl
InSe2Tl is a stable semiconducting material composed of indium, selenium, and thallium.
About InSe2Tl
InSe2Tl is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of indium, selenium, and thallium atoms.
Its structural diversity is evidenced by multiple reported configurations across various databases. This stability and electronic profile make it a subject of interest for researchers investigating specialized semiconductor materials and their potential for advanced electronic applications.
Key Properties
Cross-validated computational properties for InSe2Tl, 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.
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 InSe2Tl, 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. |
|---|---|---|---|---|---|
| I4/mcm (No. 140) | tetragonal | 0.74 | 0.0000 | -26.768 | 6.86 |
| I4/mcm (No. 140) | tetragonal | 0.00 | 0.3297 | -26.438 | 6.73 |
| P4mm (No. 99) | — | — | — | — | — |
| — | — | — | — | — | 6.23 |
| — | — | — | — | — | 6.33 |
| — | — | — | — | — | 6.58 |
| — | — | — | — | — | 6.58 |
Frequently Asked Questions
Common questions about InSe2Tl, answered from cross-validated data.
What is InSe2Tl?
InSe2Tl is a stable semiconducting material composed of indium, selenium, and thallium.
What is the band gap of InSe2Tl?
Is InSe2Tl a metal, semiconductor, or insulator?
Is InSe2Tl thermodynamically stable?
What is the crystal structure of InSe2Tl?
What is the density of InSe2Tl?
How many polymorphs of InSe2Tl are known?
What elements does InSe2Tl contain?
Where does the data for InSe2Tl come from?
How It Compares
As a distinct ternary compound, InSe2Tl occupies a unique position in materials science, serving as a foundational example of stable indium-thallium-selenide chemistry where the specific stoichiometry dictates its electronic performance.
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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