LiY2In
LiY2In has a DFT band gap of 0.04 eV across 2 reported structures in 2 space groups. Cross-validated across 2 computational databases.
InLiY
At a glance
Key Properties
Cross-validated computational properties for LiY2In, 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.
0.04 eV
Range across DFT structures
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.
2.421 eV/atom
Best (lowest) across sources
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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
2
2 databases, 2 space groups
Reference
Frequently Asked Questions
Common questions about LiY2In, answered from cross-validated data.
What is the band gap of LiY2In?
LiY2In has a DFT-computed band gap of 0.04 eV across 2 reported structures.
More questions
Is LiY2In a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is LiY2In thermodynamically stable?
LiY2In has a lowest energy above hull of 2.421 eV/atom (above hull).
How many polymorphs of LiY2In are known?
2 structures of LiY2In are reported across 2 databases, spanning 2 distinct space groups.
What elements does LiY2In contain?
LiY2In contains In, Li, and Y (3 elements).
Where does the data for LiY2In come from?
LiY2In data is cross-referenced from latticegraph.
Reading
Related Research
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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