Au1Cu1Mg2
Au1Cu1Mg2 is a semiconducting ternary intermetallic compound that exhibits metastable thermodynamic characteristics.
About Au1Cu1Mg2
Au1Cu1Mg2 is a complex ternary intermetallic compound characterized by its semiconducting electronic behavior. Its composition involves a specific arrangement of gold, copper, and magnesium atoms that defines its unique structural identity within the broader landscape of metallic alloys.
While the compound exhibits a diverse range of reported structural configurations, it is categorized as being above the thermodynamic hull. This suggests that it exists in a metastable state, making it a subject of interest for researchers investigating phase stability and synthesis pathways in multi-element systems.
Key Properties
Cross-validated computational properties for Au1Cu1Mg2, 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 Au1Cu1Mg2, 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 | 0.16 | 1.4273 | -1.609 | 0.56 |
| Pmmm (No. 47) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Au1Cu1Mg2, answered from cross-validated data.
What is Au1Cu1Mg2?
Au1Cu1Mg2 is a semiconducting ternary intermetallic compound that exhibits metastable thermodynamic characteristics.
What is the band gap of Au1Cu1Mg2?
Is Au1Cu1Mg2 a metal, semiconductor, or insulator?
Is Au1Cu1Mg2 thermodynamically stable?
What is the crystal structure of Au1Cu1Mg2?
What is the density of Au1Cu1Mg2?
How many polymorphs of Au1Cu1Mg2 are known?
What elements does Au1Cu1Mg2 contain?
Where does the data for Au1Cu1Mg2 come from?
How It Compares
As a distinct ternary phase, Au1Cu1Mg2 represents a specialized structural arrangement within the group of gold-copper-magnesium alloys. Unlike more common, highly stable intermetallic phases, this compound occupies a unique position due to its metastable nature, providing a valuable case study for understanding how specific atomic ratios influence electronic properties in complex, non-equilibrium systems.
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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