Li2ScIn
Li2ScIn is a semimetallic ternary compound that is theoretically stable and of interest for its electronic properties in solid-state physics.
About Li2ScIn
Li2ScIn is a complex ternary intermetallic compound characterized by its near-zero-gap electronic structure. As a semimetallic material, it exhibits unique charge carrier dynamics that distinguish it from traditional insulators or wide-gap semiconductors.
Due to its position near the thermodynamic hull, Li2ScIn is considered a viable candidate for experimental synthesis. Its structural versatility is evidenced by multiple reported configurations across materials databases, marking it as a significant subject for fundamental condensed matter studies.
Key Properties
Cross-validated computational properties for Li2ScIn, aggregated across 3 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 Li2ScIn, 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 | 0.07 | 0.0135 | -10.016 | 4.01 |
| Immm (No. 71) | orthorhombic | 0.00 | 1.9216 | -8.108 | 0.25 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.96 |
| Fm-3m (No. 225) | Cubic | — | — | — | 4.00 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 4.02 |
Applications
Where Li2ScIn is used.
Frequently Asked Questions
Common questions about Li2ScIn, answered from cross-validated data.
What is Li2ScIn?
Li2ScIn is a semimetallic ternary compound that is theoretically stable and of interest for its electronic properties in solid-state physics.
What is Li2ScIn used for?
What is the band gap of Li2ScIn?
Is Li2ScIn a metal, semiconductor, or insulator?
Is Li2ScIn thermodynamically stable?
What is the crystal structure of Li2ScIn?
What is the density of Li2ScIn?
How many polymorphs of Li2ScIn are known?
What elements does Li2ScIn contain?
Where does the data for Li2ScIn come from?
How It Compares
As a specialized ternary intermetallic, Li2ScIn occupies a distinct niche in materials science. Without direct structural siblings in its immediate class, it serves as a primary reference point for investigating the interplay between lithium, scandium, and indium in semimetallic systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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