Co1Sc2Tl1
Co1Sc2Tl1 is a semimetallic ternary intermetallic compound containing cobalt, scandium, and thallium.
About Co1Sc2Tl1
Co1Sc2Tl1 is a ternary intermetallic compound composed of cobalt, scandium, and thallium. Its electronic structure exhibits a semimetallic character, placing it in a unique position between traditional metallic alloys and semiconducting materials.
Due to its position above the thermodynamic hull, this material is considered metastable, which makes it a subject of significant interest for structural analysis and phase stability studies. It is frequently examined in computational databases to understand the formation of complex ternary phases.
Key Properties
Cross-validated computational properties for Co1Sc2Tl1, 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 Co1Sc2Tl1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.03 | 2.3276 | -20.217 | 0.67 |
| Immm (No. 71) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where Co1Sc2Tl1 is used.
Frequently Asked Questions
Common questions about Co1Sc2Tl1, answered from cross-validated data.
What is Co1Sc2Tl1?
Co1Sc2Tl1 is a semimetallic ternary intermetallic compound containing cobalt, scandium, and thallium.
What is Co1Sc2Tl1 used for?
What is the band gap of Co1Sc2Tl1?
Is Co1Sc2Tl1 a metal, semiconductor, or insulator?
Is Co1Sc2Tl1 thermodynamically stable?
What is the crystal structure of Co1Sc2Tl1?
What is the density of Co1Sc2Tl1?
How many polymorphs of Co1Sc2Tl1 are known?
What elements does Co1Sc2Tl1 contain?
Where does the data for Co1Sc2Tl1 come from?
How It Compares
As a unique ternary phase, Co1Sc2Tl1 serves as an important case study for understanding the interplay between transition metals and heavy post-transition elements in complex crystal structures.
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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