Au1Be2Li1
Au1Be2Li1 is a semiconducting ternary intermetallic compound characterized by its metastable nature and complex structural diversity.
About Au1Be2Li1
Au1Be2Li1 is a complex ternary intermetallic compound composed of gold, beryllium, and lithium. As a semiconducting material, it represents a unique intersection of noble metal chemistry and light-element structural engineering, drawing significant interest in theoretical materials science for its electronic behavior.
Despite its status as a thermodynamically unstable phase located above the hull, this compound has been the subject of extensive structural investigation. Its existence across multiple reported structures suggests a rich, albeit metastable, energy landscape that challenges conventional bonding models in intermetallic systems.
Key Properties
Cross-validated computational properties for Au1Be2Li1, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Au1Be2Li1, 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 | 1.33 | 1.7906 | -1.646 | 0.60 |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Au1Be2Li1, answered from cross-validated data.
What is Au1Be2Li1?
Au1Be2Li1 is a semiconducting ternary intermetallic compound characterized by its metastable nature and complex structural diversity.
What is the band gap of Au1Be2Li1?
Is Au1Be2Li1 a metal, semiconductor, or insulator?
Is Au1Be2Li1 thermodynamically stable?
What is the crystal structure of Au1Be2Li1?
What is the density of Au1Be2Li1?
How many polymorphs of Au1Be2Li1 are known?
What elements does Au1Be2Li1 contain?
Where does the data for Au1Be2Li1 come from?
How It Compares
As a unique ternary phase, Au1Be2Li1 serves as a distinct case study in the exploration of complex intermetallic systems where the interplay between heavy gold atoms and light lithium and beryllium components dictates its electronic and structural identity.
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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