Al1La1Li2
This is a ternary intermetallic compound composed of aluminum, lanthanum, and lithium. It is primarily studied in materials science research for its structural properties and potential roles in advanced alloy development.
AlLaLi
Overview
Key Properties
Cross-validated computational properties for Al1La1Li2, 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.
0.09 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.
2.122 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.
27
2 databases, 13 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al1La1Li2, 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 | 0.09 | 2.1216 | -8.426 | 0.23 |
| R3m (No. 160) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Uses
Applications
Where Al1La1Li2 is used.
Materials science researchAlloy development studies
Reference
Frequently Asked Questions
Common questions about Al1La1Li2, answered from cross-validated data.
What is Al1La1Li2?
This is a ternary intermetallic compound composed of aluminum, lanthanum, and lithium. It is primarily studied in materials science research for its structural properties and potential roles in advanced alloy development.
More questions
What is Al1La1Li2 used for?
Al1La1Li2 is used in materials science research and alloy development studies.
What is the band gap of Al1La1Li2?
Al1La1Li2 has a DFT-computed band gap of 0.09 eV across 27 reported structures.
Is Al1La1Li2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Al1La1Li2 thermodynamically stable?
Al1La1Li2 has a lowest energy above hull of 2.122 eV/atom (above hull).
What is the crystal structure of Al1La1Li2?
The lowest-energy reported polymorph of Al1La1Li2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Al1La1Li2?
The computed density of the ground-state structure of Al1La1Li2 is 0.23 g/cm³.
How many polymorphs of Al1La1Li2 are known?
27 structures of Al1La1Li2 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Al1La1Li2 contain?
Al1La1Li2 contains Al, La, and Li (3 elements).
Where does the data for Al1La1Li2 come from?
Al1La1Li2 data is cross-referenced from materials_project, aflow.
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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