Ga2Li1Sc1
Ga2Li1Sc1 is a semiconducting ternary compound of gallium, lithium, and scandium that exists as a metastable phase.
About Ga2Li1Sc1
Ga2Li1Sc1 is a complex ternary compound composed of gallium, lithium, and scandium. It exhibits semiconducting electronic properties, positioning it within a niche category of materials that bridge the gap between metallic conductors and insulating oxides. Given its structural data richness, it serves as a subject of interest for computational studies exploring ternary phase spaces.
Due to its thermodynamic position above the hull, this compound is considered likely unstable under standard conditions. Its existence in structural databases highlights the ongoing effort to map metastable phases that could potentially be stabilized through specific synthesis pathways or thin-film growth techniques.
Key Properties
Cross-validated computational properties for Ga2Li1Sc1, 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 Ga2Li1Sc1, 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 | 0.12 | 2.0650 | -7.643 | 0.33 |
| P4mm (No. 99) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ga2Li1Sc1 is used.
Frequently Asked Questions
Common questions about Ga2Li1Sc1, answered from cross-validated data.
What is Ga2Li1Sc1?
Ga2Li1Sc1 is a semiconducting ternary compound of gallium, lithium, and scandium that exists as a metastable phase.
What is Ga2Li1Sc1 used for?
What is the band gap of Ga2Li1Sc1?
Is Ga2Li1Sc1 a metal, semiconductor, or insulator?
Is Ga2Li1Sc1 thermodynamically stable?
What is the crystal structure of Ga2Li1Sc1?
What is the density of Ga2Li1Sc1?
How many polymorphs of Ga2Li1Sc1 are known?
What elements does Ga2Li1Sc1 contain?
Where does the data for Ga2Li1Sc1 come from?
How It Compares
As a unique ternary phase, Ga2Li1Sc1 represents a specialized structural arrangement within the broader landscape of gallium-based intermetallics. Unlike more conventional, thermodynamically stable phases, this compound highlights the prevalence of metastable configurations in complex multi-element systems, serving as a benchmark for understanding the formation of non-equilibrium phases in materials science.
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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