Au2Cu1Mg1
Au2Cu1Mg1 is a semiconducting ternary intermetallic compound containing gold, copper, and magnesium that exists as a metastable phase.
About Au2Cu1Mg1
Au2Cu1Mg1 is a ternary intermetallic compound composed of gold, copper, and magnesium. As a semiconducting material, it occupies a distinct electronic niche, offering unique charge transport properties that differentiate it from typical metallic alloys. Its structural complexity is evidenced by the numerous reported configurations found in materials databases.
Despite its diverse structural possibilities, this compound is characterized as being above the thermodynamic hull, suggesting it is a metastable phase. Its existence and potential utility are subjects of interest for researchers investigating the synthesis of complex ternary systems where precise control over composition and stability is required.
Key Properties
Cross-validated computational properties for Au2Cu1Mg1, 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 Au2Cu1Mg1, 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 | 1.66 | 1.4043 | -2.013 | 0.90 |
| Pm (No. 6) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
Applications
Where Au2Cu1Mg1 is used.
Frequently Asked Questions
Common questions about Au2Cu1Mg1, answered from cross-validated data.
What is Au2Cu1Mg1?
Au2Cu1Mg1 is a semiconducting ternary intermetallic compound containing gold, copper, and magnesium that exists as a metastable phase.
What is Au2Cu1Mg1 used for?
What is the band gap of Au2Cu1Mg1?
Is Au2Cu1Mg1 a metal, semiconductor, or insulator?
Is Au2Cu1Mg1 thermodynamically stable?
What is the crystal structure of Au2Cu1Mg1?
What is the density of Au2Cu1Mg1?
How many polymorphs of Au2Cu1Mg1 are known?
What elements does Au2Cu1Mg1 contain?
Where does the data for Au2Cu1Mg1 come from?
How It Compares
As a unique ternary phase, Au2Cu1Mg1 represents a specialized case within the broader landscape of gold-based intermetallic compounds, serving as a focal point for studies on metastable material synthesis and electronic tuning.
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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