Au2Li1Pb1
This is a ternary intermetallic compound composed of gold, lithium, and lead. It is primarily studied in materials science research to understand complex crystal structures and the electronic properties of metallic alloys.
AuLiPb
Overview
Key Properties
Cross-validated computational properties for Au2Li1Pb1, 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.
1.203 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, 18 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Au2Li1Pb1, 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 | 0.04 | 1.2035 | -2.164 | 0.94 |
| Cmmm (No. 65) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Uses
Applications
Where Au2Li1Pb1 is used.
Materials science researchSolid-state chemistry studiesFundamental alloy characterization
Reference
Frequently Asked Questions
Common questions about Au2Li1Pb1, answered from cross-validated data.
What is Au2Li1Pb1?
This is a ternary intermetallic compound composed of gold, lithium, and lead. It is primarily studied in materials science research to understand complex crystal structures and the electronic properties of metallic alloys.
More questions
What is Au2Li1Pb1 used for?
Au2Li1Pb1 is used in materials science research, solid-state chemistry studies, and fundamental alloy characterization.
What is the band gap of Au2Li1Pb1?
Au2Li1Pb1 has a DFT-computed band gap of 0.04 eV across 27 reported structures.
Is Au2Li1Pb1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Au2Li1Pb1 thermodynamically stable?
Au2Li1Pb1 has a lowest energy above hull of 1.203 eV/atom (above hull).
What is the crystal structure of Au2Li1Pb1?
The lowest-energy reported polymorph of Au2Li1Pb1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Au2Li1Pb1?
The computed density of the ground-state structure of Au2Li1Pb1 is 0.94 g/cm³.
How many polymorphs of Au2Li1Pb1 are known?
27 structures of Au2Li1Pb1 are reported across 2 databases, spanning 18 distinct space groups.
What elements does Au2Li1Pb1 contain?
Au2Li1Pb1 contains Au, Li, and Pb (3 elements).
Where does the data for Au2Li1Pb1 come from?
Au2Li1Pb1 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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