In10Se14Tl2
This compound is a complex ternary chalcogenide consisting of indium, selenium, and thallium. It is primarily studied in academic research for its unique structural properties and potential applications in semiconductor physics.
InSeTl
Overview
Key Properties
Cross-validated computational properties for In10Se14Tl2, 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.
0.34 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.
0.020 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for In10Se14Tl2, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.34 | 0.0200 | -21.140 | 6.21 |
| — | — | — | — | — | 6.21 |
| — | — | — | — | — | 6.21 |
| P21/m (No. 11) | — | — | — | — | — |
| — | — | — | — | — | 6.21 |
Uses
Applications
Where In10Se14Tl2 is used.
Semiconductor researchMaterials science studiesSolid-state chemistry investigations
Reference
Frequently Asked Questions
Common questions about In10Se14Tl2, answered from cross-validated data.
What is In10Se14Tl2?
This compound is a complex ternary chalcogenide consisting of indium, selenium, and thallium. It is primarily studied in academic research for its unique structural properties and potential applications in semiconductor physics.
More questions
What is In10Se14Tl2 used for?
In10Se14Tl2 is used in semiconductor research, materials science studies, and solid-state chemistry investigations.
What is the band gap of In10Se14Tl2?
In10Se14Tl2 has a DFT-computed band gap of 0.34 eV across 5 reported structures.
Is In10Se14Tl2 a metal, semiconductor, or insulator?
With a band gap up to 0.34 eV it is a semiconductor.
Is In10Se14Tl2 thermodynamically stable?
In10Se14Tl2 has a lowest energy above hull of 0.020 eV/atom (near hull (likely stable)).
What is the crystal structure of In10Se14Tl2?
The lowest-energy reported polymorph of In10Se14Tl2 is monoclinic symmetry, space group P21/m (No. 11).
What is the density of In10Se14Tl2?
The computed density of the ground-state structure of In10Se14Tl2 is 6.21 g/cm³.
How many polymorphs of In10Se14Tl2 are known?
5 structures of In10Se14Tl2 are reported across 3 databases, spanning 1 distinct space group.
What elements does In10Se14Tl2 contain?
In10Se14Tl2 contains In, Se, and Tl (3 elements).
Where does the data for In10Se14Tl2 come from?
In10Se14Tl2 data is cross-referenced from materials_project, omat24, aflow.
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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