Sc1Te2Tl1
Sc1Te2Tl1 is a thermodynamically stable, semimetallic ternary compound containing scandium, tellurium, and thallium.
About Sc1Te2Tl1
Sc1Te2Tl1 is a complex ternary compound composed of scandium, tellurium, and thallium. It is characterized as a thermodynamically stable phase that sits directly on the convex hull, indicating robust structural integrity under standard conditions.
Electronically, this material exhibits a near-zero-gap profile, placing it in the semimetallic regime. Its unique electronic configuration makes it a subject of interest for researchers investigating charge transport and electronic behavior in ternary chalcogenide systems.
Key Properties
Cross-validated computational properties for Sc1Te2Tl1, 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 Sc1Te2Tl1, 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 | 0.04 | 0.0000 | -4.881 | 6.56 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Sc1Te2Tl1 is used.
Frequently Asked Questions
Common questions about Sc1Te2Tl1, answered from cross-validated data.
What is Sc1Te2Tl1?
Sc1Te2Tl1 is a thermodynamically stable, semimetallic ternary compound containing scandium, tellurium, and thallium.
What is Sc1Te2Tl1 used for?
What is the band gap of Sc1Te2Tl1?
Is Sc1Te2Tl1 a metal, semiconductor, or insulator?
Is Sc1Te2Tl1 thermodynamically stable?
What is the crystal structure of Sc1Te2Tl1?
What is the density of Sc1Te2Tl1?
How many polymorphs of Sc1Te2Tl1 are known?
What elements does Sc1Te2Tl1 contain?
Where does the data for Sc1Te2Tl1 come from?
How It Compares
As a distinct ternary phase, Sc1Te2Tl1 serves as a unique entry point into the study of scandium-based tellurides. While it lacks direct siblings in this specific dataset, it represents a stable, well-defined structural arrangement that provides a baseline for understanding how the integration of thallium influences the electronic properties of transition metal chalcogenides.
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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