Au2Hf1Li1
Au2Hf1Li1 is a semiconducting ternary intermetallic compound that is considered thermodynamically stable enough to be a target for laboratory synthesis.
About Au2Hf1Li1
Au2Hf1Li1 is a complex ternary intermetallic compound that exhibits semiconducting electronic behavior. Its structural configuration places it in a unique position within inorganic materials science, characterized by a delicate balance of constituent elements that suggests it is a viable candidate for experimental synthesis.
As a near-hull material, this compound represents a significant point of interest for researchers studying stable, synthesizable phases. Its existence within a rich landscape of reported structures highlights its potential utility in specialized electronic applications where specific semiconducting characteristics are required.
Key Properties
Cross-validated computational properties for Au2Hf1Li1, 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 Au2Hf1Li1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0132 | -37.748 | 13.94 |
| Immm (No. 71) | orthorhombic | 0.29 | 2.0609 | -35.700 | 0.99 |
| Pmm2 (No. 25) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Au2Hf1Li1 is used.
Frequently Asked Questions
Common questions about Au2Hf1Li1, answered from cross-validated data.
What is Au2Hf1Li1?
Au2Hf1Li1 is a semiconducting ternary intermetallic compound that is considered thermodynamically stable enough to be a target for laboratory synthesis.
What is Au2Hf1Li1 used for?
What is the band gap of Au2Hf1Li1?
Is Au2Hf1Li1 a metal, semiconductor, or insulator?
Is Au2Hf1Li1 thermodynamically stable?
What is the crystal structure of Au2Hf1Li1?
What is the density of Au2Hf1Li1?
How many polymorphs of Au2Hf1Li1 are known?
What elements does Au2Hf1Li1 contain?
Where does the data for Au2Hf1Li1 come from?
How It Compares
As a singular entry in this specific compositional space, Au2Hf1Li1 serves as a foundational reference for future investigations into gold-hafnium-lithium systems, defining the baseline for stability and electronic performance in this unique ternary class.
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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