Tl3In5Se8
Tl3In5Se8 is a semiconducting ternary compound containing thallium, indium, and selenium that is considered stable enough for potential synthesis.
About Tl3In5Se8
Tl3In5Se8 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. Its structural configuration and chemical composition make it a subject of interest for researchers exploring the properties of thallium-based semiconductors.
As a near-hull material, it is considered thermodynamically stable and likely synthesizable under appropriate laboratory conditions. It serves as a valuable candidate for fundamental studies in solid-state physics and materials science, particularly where specific semiconducting characteristics are required for device functionality.
Key Properties
Cross-validated computational properties for Tl3In5Se8, 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 Tl3In5Se8, 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. |
|---|---|---|---|---|---|
| P422 (No. 89) | tetragonal | 0.54 | 0.0203 | -24.836 | 6.36 |
| P422 (No. 89) | Tetragonal | — | — | — | 6.36 |
| P422 (No. 89) | Tetragonal | — | — | — | 6.63 |
| P422 (No. 89) | Tetragonal | — | — | — | 6.55 |
| P422 (No. 89) | — | — | — | — | — |
Applications
Where Tl3In5Se8 is used.
Frequently Asked Questions
Common questions about Tl3In5Se8, answered from cross-validated data.
What is Tl3In5Se8?
Tl3In5Se8 is a semiconducting ternary compound containing thallium, indium, and selenium that is considered stable enough for potential synthesis.
What is Tl3In5Se8 used for?
What is the band gap of Tl3In5Se8?
Is Tl3In5Se8 a metal, semiconductor, or insulator?
Is Tl3In5Se8 thermodynamically stable?
What is the crystal structure of Tl3In5Se8?
What is the density of Tl3In5Se8?
How many polymorphs of Tl3In5Se8 are known?
What elements does Tl3In5Se8 contain?
Where does the data for Tl3In5Se8 come from?
How It Compares
As a specialized ternary selenide, Tl3In5Se8 occupies a unique niche in the landscape of thallium-indium-based materials. While broader classes of chalcogenides are widely documented, this specific stoichiometry represents a distinct structural arrangement that contributes to the diversity of semiconducting compounds available for future technological exploration.
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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