In1Li2Y1
In1Li2Y1 is a thermodynamically stable, semimetallic intermetallic compound composed of indium, lithium, and yttrium.
About In1Li2Y1
In1Li2Y1 is a complex intermetallic compound composed of indium, lithium, and yttrium. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement that maintains chemical integrity under standard conditions.
This material exhibits a near-zero-gap electronic character, placing it in the category of semimetallic conductors. Its unique electronic configuration and structural stability make it a subject of interest for researchers investigating the fundamental behavior of ternary metallic systems.
Key Properties
Cross-validated computational properties for In1Li2Y1, 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 In1Li2Y1, 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 | 0.05 | 0.0000 | -12.310 | 4.53 |
| Immm (No. 71) | orthorhombic | 0.05 | 2.0031 | -10.307 | 0.30 |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where In1Li2Y1 is used.
Frequently Asked Questions
Common questions about In1Li2Y1, answered from cross-validated data.
What is In1Li2Y1?
In1Li2Y1 is a thermodynamically stable, semimetallic intermetallic compound composed of indium, lithium, and yttrium.
What is In1Li2Y1 used for?
What is the band gap of In1Li2Y1?
Is In1Li2Y1 a metal, semiconductor, or insulator?
Is In1Li2Y1 thermodynamically stable?
What is the crystal structure of In1Li2Y1?
What is the density of In1Li2Y1?
How many polymorphs of In1Li2Y1 are known?
What elements does In1Li2Y1 contain?
Where does the data for In1Li2Y1 come from?
How It Compares
As a distinct ternary intermetallic, In1Li2Y1 serves as a foundational example of how combining these specific elements leads to a stable, semimetallic phase, providing a reference point for future exploration of similar complex metallic alloys.
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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