Au2LiSb
This compound is a ternary intermetallic material composed of gold, lithium, and antimony. It is primarily studied by researchers investigating the structural and electronic properties of complex metallic phases.
AuLiSb
Overview
Key Properties
Cross-validated computational properties for Au2LiSb, 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.
1.01 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.
1.287 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 Au2LiSb, 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 | 1.01 | 1.2871 | -31.385 | 0.95 |
| F-43m (No. 216) | — | — | — | — | — |
| — | — | — | — | — | 10.78 |
Uses
Applications
Where Au2LiSb is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Au2LiSb, answered from cross-validated data.
What is Au2LiSb?
This compound is a ternary intermetallic material composed of gold, lithium, and antimony. It is primarily studied by researchers investigating the structural and electronic properties of complex metallic phases.
More questions
What is Au2LiSb used for?
Au2LiSb is used in materials science research and solid-state chemistry studies.
What is the band gap of Au2LiSb?
Au2LiSb has a DFT-computed band gap of 1.01 eV across 3 reported structures.
Is Au2LiSb a metal, semiconductor, or insulator?
With a band gap up to 1.01 eV it is a semiconductor.
Is Au2LiSb thermodynamically stable?
Au2LiSb has a lowest energy above hull of 1.287 eV/atom (above hull).
What is the crystal structure of Au2LiSb?
The lowest-energy reported polymorph of Au2LiSb is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Au2LiSb?
The computed density of the ground-state structure of Au2LiSb is 0.95 g/cm³.
How many polymorphs of Au2LiSb are known?
3 structures of Au2LiSb are reported across 3 databases, spanning 2 distinct space groups.
What elements does Au2LiSb contain?
Au2LiSb contains Au, Li, and Sb (3 elements).
Where does the data for Au2LiSb come from?
Au2LiSb 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).
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