Al2Co1Li1
This material is a complex metallic alloy containing aluminum, cobalt, and lithium. It is primarily investigated in the field of materials science for its structural properties and potential use in advanced metallurgical research.
AlCoLi
Overview
Key Properties
Cross-validated computational properties for Al2Co1Li1, 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.
0.06 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.
2.318 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, 16 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al2Co1Li1, 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 | 0.06 | 2.3180 | -5.339 | 0.26 |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Uses
Applications
Where Al2Co1Li1 is used.
Materials science researchAlloy developmentFundamental solid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Al2Co1Li1, answered from cross-validated data.
What is Al2Co1Li1?
This material is a complex metallic alloy containing aluminum, cobalt, and lithium. It is primarily investigated in the field of materials science for its structural properties and potential use in advanced metallurgical research.
More questions
What is Al2Co1Li1 used for?
Al2Co1Li1 is used in materials science research, alloy development, and fundamental solid-state chemistry studies.
What is the band gap of Al2Co1Li1?
Al2Co1Li1 has a DFT-computed band gap of 0.06 eV across 27 reported structures.
Is Al2Co1Li1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Al2Co1Li1 thermodynamically stable?
Al2Co1Li1 has a lowest energy above hull of 2.318 eV/atom (above hull).
What is the crystal structure of Al2Co1Li1?
The lowest-energy reported polymorph of Al2Co1Li1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Al2Co1Li1?
The computed density of the ground-state structure of Al2Co1Li1 is 0.26 g/cm³.
How many polymorphs of Al2Co1Li1 are known?
27 structures of Al2Co1Li1 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Al2Co1Li1 contain?
Al2Co1Li1 contains Al, Co, and Li (3 elements).
Where does the data for Al2Co1Li1 come from?
Al2Co1Li1 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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