In1Sc2Tl1
In1Sc2Tl1 is a semiconducting intermetallic compound containing indium, scandium, and thallium that is currently documented as a potentially unstable phase.
About In1Sc2Tl1
In1Sc2Tl1 is a complex intermetallic compound composed of indium, scandium, and thallium. It exhibits semiconducting electronic behavior, marking it as a subject of interest for fundamental studies in solid-state physics and materials design.
Due to its position above the thermodynamic hull, this compound is considered potentially unstable under standard conditions. It is characterized by a significant degree of structural diversity, as evidenced by the numerous reported crystal structures documented across research databases.
Key Properties
Cross-validated computational properties for In1Sc2Tl1, 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 In1Sc2Tl1, 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 | 0.11 | 2.2798 | -22.727 | 0.57 |
| F-43m (No. 216) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
Frequently Asked Questions
Common questions about In1Sc2Tl1, answered from cross-validated data.
What is In1Sc2Tl1?
In1Sc2Tl1 is a semiconducting intermetallic compound containing indium, scandium, and thallium that is currently documented as a potentially unstable phase.
What is the band gap of In1Sc2Tl1?
Is In1Sc2Tl1 a metal, semiconductor, or insulator?
Is In1Sc2Tl1 thermodynamically stable?
What is the crystal structure of In1Sc2Tl1?
What is the density of In1Sc2Tl1?
How many polymorphs of In1Sc2Tl1 are known?
What elements does In1Sc2Tl1 contain?
Where does the data for In1Sc2Tl1 come from?
How It Compares
As a unique intermetallic phase, In1Sc2Tl1 represents an exploratory composition within the broader landscape of complex ternary systems. Without direct structural analogs in its immediate class, it serves as a distinct case study for understanding the synthesis challenges and structural instabilities inherent in multi-element indium-scandium-thallium combinations.
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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