Au2Hf2
Au2Hf2 is a stable metallic compound formed from the combination of gold and hafnium.
About Au2Hf2
Au2Hf2 is a metallic intermetallic compound composed of gold and hafnium. Its status as a thermodynamically stable phase on the convex hull suggests a robust structural arrangement that resists decomposition under standard conditions.
This material is characterized by its distinct metallic electronic nature. With a high degree of data richness across multiple crystallographic databases, it serves as a significant subject for researchers investigating the fundamental interactions between transition metals and noble metals.
Key Properties
Cross-validated computational properties for Au2Hf2, aggregated across 5 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 Au2Hf2, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0000 | -48.474 | 16.25 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 1.0677 | -47.406 | 13.67 |
| P4/nmm (No. 129) | — | — | — | — | — |
| Pmma (No. 51) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where Au2Hf2 is used.
Frequently Asked Questions
Common questions about Au2Hf2, answered from cross-validated data.
What is Au2Hf2?
Au2Hf2 is a stable metallic compound formed from the combination of gold and hafnium.
What is Au2Hf2 used for?
What is the band gap of Au2Hf2?
Is Au2Hf2 a metal, semiconductor, or insulator?
Is Au2Hf2 thermodynamically stable?
What is the crystal structure of Au2Hf2?
What is the density of Au2Hf2?
How many polymorphs of Au2Hf2 are known?
What elements does Au2Hf2 contain?
Where does the data for Au2Hf2 come from?
How It Compares
As a unique intermetallic phase, Au2Hf2 represents a specific stoichiometry within the gold-hafnium binary system. It occupies a distinct position in the landscape of intermetallic materials, where its stability and electronic properties provide a benchmark for understanding bonding behavior in heavy-metal alloys.
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).
- 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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