Se16Si4Tl16
Se16Si4Tl16 is a thermodynamically stable semiconducting compound composed of selenium, silicon, and thallium.
About Se16Si4Tl16
Se16Si4Tl16 is a complex ternary compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of selenium, silicon, and thallium atoms.
Its existence across multiple reported structures highlights its significance in materials research. The compound serves as a subject of interest for understanding the interplay between chalcogenide and pnictogen-like bonding environments in multi-element systems.
Key Properties
Cross-validated computational properties for Se16Si4Tl16, 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 Se16Si4Tl16, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.47 | 0.0000 | -3.880 | 7.09 |
| — | — | — | — | — | 6.89 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Se16Si4Tl16 is used.
Frequently Asked Questions
Common questions about Se16Si4Tl16, answered from cross-validated data.
What is Se16Si4Tl16?
Se16Si4Tl16 is a thermodynamically stable semiconducting compound composed of selenium, silicon, and thallium.
What is Se16Si4Tl16 used for?
What is the band gap of Se16Si4Tl16?
Is Se16Si4Tl16 a metal, semiconductor, or insulator?
Is Se16Si4Tl16 thermodynamically stable?
What is the crystal structure of Se16Si4Tl16?
What is the density of Se16Si4Tl16?
How many polymorphs of Se16Si4Tl16 are known?
What elements does Se16Si4Tl16 contain?
Where does the data for Se16Si4Tl16 come from?
How It Compares
As a unique ternary system, Se16Si4Tl16 occupies a distinct niche in materials science. Without direct structural siblings in this specific classification, it stands as a primary example of how silicon and thallium can integrate into a selenium-rich framework to achieve thermodynamic stability.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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