Au2GaMg
Au2GaMg is a stable, semimetallic ternary intermetallic compound composed of gold, gallium, and magnesium.
About Au2GaMg
Au2GaMg is a distinct intermetallic compound composed of gold, gallium, and magnesium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these metallic elements.
Characterized as a near-zero-gap semimetallic material, its electronic structure places it in a unique regime between traditional metals and semiconductors. This electronic profile makes it an intriguing subject for fundamental studies into the behavior of complex ternary alloys.
Key Properties
Cross-validated computational properties for Au2GaMg, aggregated across 3 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Au2GaMg. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Au2GaMg, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -3.224 | 11.19 |
| Immm (No. 71) | orthorhombic | 0.02 | 1.0513 | -2.172 | 0.88 |
| — | — | — | — | — | 11.48 |
| — | — | — | — | — | 11.48 |
| — | — | — | — | — | 11.45 |
| — | — | — | — | — | 11.45 |
| No. 0 | unknown | — | — | — | 5.11 |
Applications
Where Au2GaMg is used.
Frequently Asked Questions
Common questions about Au2GaMg, answered from cross-validated data.
What is Au2GaMg?
Au2GaMg is a stable, semimetallic ternary intermetallic compound composed of gold, gallium, and magnesium.
What is Au2GaMg used for?
What is the band gap of Au2GaMg?
Is Au2GaMg a metal, semiconductor, or insulator?
Is Au2GaMg thermodynamically stable?
What is the crystal structure of Au2GaMg?
What is the density of Au2GaMg?
How many polymorphs of Au2GaMg are known?
What elements does Au2GaMg contain?
Where does the data for Au2GaMg come from?
How It Compares
As a unique ternary intermetallic phase, Au2GaMg occupies a specialized niche in materials science. Without direct structural siblings in this specific class, it serves as a primary reference point for understanding the interplay of gold, gallium, and magnesium in stable, semimetallic lattice configurations.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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).
Analyze Au2GaMg in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →