Au2Ni1Zn1
Au2Ni1Zn1 is a semimetallic ternary intermetallic compound that exists in a metastable state.
About Au2Ni1Zn1
Au2Ni1Zn1 is a complex ternary intermetallic compound composed of gold, nickel, and zinc. Its electronic structure exhibits a near-zero-gap character, placing it in the category of semimetallic materials that bridge the gap between conductors and insulators.
Due to its position above the thermodynamic hull, this compound is considered metastable, suggesting that its synthesis requires precise kinetic control. Despite its instability, it has been the subject of significant structural investigation, with numerous reported configurations documented in materials databases.
Key Properties
Cross-validated computational properties for Au2Ni1Zn1, 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 Au2Ni1Zn1, 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 | 0.02 | 1.5411 | -1.997 | 1.02 |
| Imm2 (No. 44) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Au2Ni1Zn1, answered from cross-validated data.
What is Au2Ni1Zn1?
Au2Ni1Zn1 is a semimetallic ternary intermetallic compound that exists in a metastable state.
What is the band gap of Au2Ni1Zn1?
Is Au2Ni1Zn1 a metal, semiconductor, or insulator?
Is Au2Ni1Zn1 thermodynamically stable?
What is the crystal structure of Au2Ni1Zn1?
What is the density of Au2Ni1Zn1?
How many polymorphs of Au2Ni1Zn1 are known?
What elements does Au2Ni1Zn1 contain?
Where does the data for Au2Ni1Zn1 come from?
How It Compares
As a unique ternary phase, Au2Ni1Zn1 represents a specialized study in the interplay of noble and transition metals. Without established siblings in a defined class, it serves as a distinct case study for how gold-rich systems can accommodate nickel and zinc to form complex, albeit metastable, lattice arrangements.
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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