Sc1Se2Tl1
Sc1Se2Tl1 is a stable, semiconducting ternary compound composed of scandium, selenium, and thallium.
About Sc1Se2Tl1
Sc1Se2Tl1 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material is of significant interest for fundamental solid-state research due to its unique combination of scandium, selenium, and thallium. Its stability suggests potential for integration into specialized electronic or optoelectronic device architectures where precise band structure control is required.
Key Properties
Cross-validated computational properties for Sc1Se2Tl1, aggregated across 2 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 Sc1Se2Tl1, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.61 | 0.0000 | -24.753 | 6.45 |
| Immm (No. 71) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Sc1Se2Tl1 is used.
Frequently Asked Questions
Common questions about Sc1Se2Tl1, answered from cross-validated data.
What is Sc1Se2Tl1?
Sc1Se2Tl1 is a stable, semiconducting ternary compound composed of scandium, selenium, and thallium.
What is Sc1Se2Tl1 used for?
What is the band gap of Sc1Se2Tl1?
Is Sc1Se2Tl1 a metal, semiconductor, or insulator?
Is Sc1Se2Tl1 thermodynamically stable?
What is the crystal structure of Sc1Se2Tl1?
What is the density of Sc1Se2Tl1?
How many polymorphs of Sc1Se2Tl1 are known?
What elements does Sc1Se2Tl1 contain?
Where does the data for Sc1Se2Tl1 come from?
How It Compares
As a unique ternary compound, Sc1Se2Tl1 occupies a distinct position in materials science, serving as a foundational example of how transition metals and heavy chalcogens can form stable, semiconducting frameworks without requiring complex doping strategies.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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