Li1Tc1Y2
Li1Tc1Y2 is a semiconducting ternary compound consisting of lithium, technetium, and yttrium that is currently of interest for its structural and electronic properties.
About Li1Tc1Y2
Li1Tc1Y2 is a complex ternary compound composed of lithium, technetium, and yttrium. As a semiconducting material, it represents a specialized area of study within inorganic chemistry, characterized by its distinct electronic structure and potential for tailored conductivity. The compound is currently identified as being above the thermodynamic hull, suggesting it is a metastable phase. Its existence across multiple reported structures highlights the interest in its structural diversity and the challenges associated with synthesizing and stabilizing such complex transition metal systems.
Key Properties
Cross-validated computational properties for Li1Tc1Y2, 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 Li1Tc1Y2, 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 | 0.43 | 2.4494 | -14.861 | 0.42 |
| Cmm2 (No. 35) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Li1Tc1Y2 is used.
Frequently Asked Questions
Common questions about Li1Tc1Y2, answered from cross-validated data.
What is Li1Tc1Y2?
Li1Tc1Y2 is a semiconducting ternary compound consisting of lithium, technetium, and yttrium that is currently of interest for its structural and electronic properties.
What is Li1Tc1Y2 used for?
What is the band gap of Li1Tc1Y2?
Is Li1Tc1Y2 a metal, semiconductor, or insulator?
Is Li1Tc1Y2 thermodynamically stable?
What is the crystal structure of Li1Tc1Y2?
What is the density of Li1Tc1Y2?
How many polymorphs of Li1Tc1Y2 are known?
What elements does Li1Tc1Y2 contain?
Where does the data for Li1Tc1Y2 come from?
How It Compares
As a unique ternary phase, Li1Tc1Y2 occupies a specialized niche in materials science where the interplay between alkali metals and transition metals dictates its electronic behavior. Unlike more common, highly stable binary semiconductors, this compound represents a more exotic structural arrangement that requires precise conditions for formation, reflecting the broader challenge of stabilizing complex lithium-technetium-yttrium systems.
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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