Au2InMg
This intermetallic compound is composed of gold, indium, and magnesium. It is primarily studied in materials science research for its unique structural properties and potential behavior in complex metallic alloy systems.
AuInMg
Overview
Key Properties
Cross-validated computational properties for Au2InMg, 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.
0.02 eV
Range across DFT structures
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.
1.055 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Au2InMg, 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 | 1.0555 | -2.085 | 0.90 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 11.36 |
| — | — | — | — | — | 11.36 |
| — | — | — | — | — | 11.36 |
Uses
Applications
Where Au2InMg is used.
Materials science researchFundamental crystallographic studiesAlloy development
Reference
Frequently Asked Questions
Common questions about Au2InMg, answered from cross-validated data.
What is Au2InMg?
This intermetallic compound is composed of gold, indium, and magnesium. It is primarily studied in materials science research for its unique structural properties and potential behavior in complex metallic alloy systems.
More questions
What is Au2InMg used for?
Au2InMg is used in materials science research, fundamental crystallographic studies, and alloy development.
What is the band gap of Au2InMg?
Au2InMg has a DFT-computed band gap of 0.02 eV across 5 reported structures.
Is Au2InMg a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Au2InMg thermodynamically stable?
Au2InMg has a lowest energy above hull of 1.055 eV/atom (above hull).
What is the crystal structure of Au2InMg?
The lowest-energy reported polymorph of Au2InMg is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Au2InMg?
The computed density of the ground-state structure of Au2InMg is 0.90 g/cm³.
How many polymorphs of Au2InMg are known?
5 structures of Au2InMg are reported across 3 databases, spanning 2 distinct space groups.
What elements does Au2InMg contain?
Au2InMg contains Au, In, and Mg (3 elements).
Where does the data for Au2InMg come from?
Au2InMg data is cross-referenced from materials_project, nomad, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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