Au1Hf1Ni2
Au1Hf1Ni2 is a semiconducting ternary intermetallic compound that exists as a metastable phase.
About Au1Hf1Ni2
Au1Hf1Ni2 is a ternary intermetallic compound characterized by its semiconducting electronic nature. As a material that resides above the thermodynamic hull, it represents a metastable phase that offers insights into complex atomic arrangements and potential niche electronic behaviors.
Despite its instability under standard conditions, the compound has been documented across multiple structural configurations in materials databases. Its existence highlights the intricate interplay between gold, hafnium, and nickel in forming specialized crystalline lattices.
Key Properties
Cross-validated computational properties for Au1Hf1Ni2, 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 Au1Hf1Ni2, 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 | 0.27 | 2.6199 | -27.827 | 1.28 |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Au1Hf1Ni2 is used.
Frequently Asked Questions
Common questions about Au1Hf1Ni2, answered from cross-validated data.
What is Au1Hf1Ni2?
Au1Hf1Ni2 is a semiconducting ternary intermetallic compound that exists as a metastable phase.
What is Au1Hf1Ni2 used for?
What is the band gap of Au1Hf1Ni2?
Is Au1Hf1Ni2 a metal, semiconductor, or insulator?
Is Au1Hf1Ni2 thermodynamically stable?
What is the crystal structure of Au1Hf1Ni2?
What is the density of Au1Hf1Ni2?
How many polymorphs of Au1Hf1Ni2 are known?
What elements does Au1Hf1Ni2 contain?
Where does the data for Au1Hf1Ni2 come from?
How It Compares
As a unique ternary phase, Au1Hf1Ni2 occupies a specialized position within the landscape of intermetallic compounds. Unlike more stable, highly symmetric binary alloys, this compound serves as a case study in the structural diversity possible when combining transition metals with noble elements in non-equilibrium states.
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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