AsAuLi2
This compound is a ternary intermetallic material composed of lithium, gold, and arsenic. It is primarily studied in academic research for its structural properties and potential behavior in solid-state chemistry.
AsAuLi
Overview
Key Properties
Cross-validated computational properties for AsAuLi2, aggregated across 3 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.
1.40 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.
1.109 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
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for AsAuLi2, 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 | 1.40 | 1.1088 | -17.011 | 0.61 |
| P4mm (No. 99) | — | — | — | — | — |
| — | — | — | — | — | 7.52 |
Uses
Applications
Where AsAuLi2 is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about AsAuLi2, answered from cross-validated data.
What is AsAuLi2?
This compound is a ternary intermetallic material composed of lithium, gold, and arsenic. It is primarily studied in academic research for its structural properties and potential behavior in solid-state chemistry.
More questions
What is AsAuLi2 used for?
AsAuLi2 is used in materials science research and solid-state physics studies.
What is the band gap of AsAuLi2?
AsAuLi2 has a DFT-computed band gap of 1.40 eV across 3 reported structures.
Is AsAuLi2 a metal, semiconductor, or insulator?
With a band gap up to 1.40 eV it is a semiconductor.
Is AsAuLi2 thermodynamically stable?
AsAuLi2 has a lowest energy above hull of 1.109 eV/atom (above hull).
What is the crystal structure of AsAuLi2?
The lowest-energy reported polymorph of AsAuLi2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of AsAuLi2?
The computed density of the ground-state structure of AsAuLi2 is 0.61 g/cm³.
How many polymorphs of AsAuLi2 are known?
3 structures of AsAuLi2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does AsAuLi2 contain?
AsAuLi2 contains As, Au, and Li (3 elements).
Where does the data for AsAuLi2 come from?
AsAuLi2 data is cross-referenced from materials_project, nomad, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze AsAuLi2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →