Ga1Li1Y2
Ga1Li1Y2 is a semiconducting ternary compound that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.
About Ga1Li1Y2
Ga1Li1Y2 is a complex ternary compound composed of gallium, lithium, and yttrium. It exhibits semiconducting electronic behavior, positioning it as a material of interest for specialized electronic applications where specific band structures are required. The compound is characterized as being near the thermodynamic hull, suggesting that it is likely synthesizable under appropriate laboratory conditions. With a significant number of reported structural variations, it remains a subject of interest for computational materials discovery.
Key Properties
Cross-validated computational properties for Ga1Li1Y2, 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 Ga1Li1Y2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0164 | -4.815 | 4.51 |
| Immm (No. 71) | orthorhombic | 0.44 | 2.4227 | -2.409 | 0.34 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ga1Li1Y2 is used.
Frequently Asked Questions
Common questions about Ga1Li1Y2, answered from cross-validated data.
What is Ga1Li1Y2?
Ga1Li1Y2 is a semiconducting ternary compound that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.
What is Ga1Li1Y2 used for?
What is the band gap of Ga1Li1Y2?
Is Ga1Li1Y2 a metal, semiconductor, or insulator?
Is Ga1Li1Y2 thermodynamically stable?
What is the crystal structure of Ga1Li1Y2?
What is the density of Ga1Li1Y2?
How many polymorphs of Ga1Li1Y2 are known?
What elements does Ga1Li1Y2 contain?
Where does the data for Ga1Li1Y2 come from?
How It Compares
As a unique ternary phase within the gallium-lithium-yttrium system, Ga1Li1Y2 serves as a foundational example of how these elements can combine to form stable, semiconducting architectures. Its near-hull stability indicates that it occupies a favorable energetic state compared to many other potential configurations in this chemical space.
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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