LiMg2Au
This compound is a ternary intermetallic phase composed of lithium, magnesium, and gold. It is primarily studied in the field of condensed matter physics and materials science for its unique structural properties and electronic characteristics.
AuLiMg
Overview
Key Properties
Cross-validated computational properties for LiMg2Au, 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.
1.19 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiMg2Au, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -2.572 | 6.05 |
| Immm (No. 71) | orthorhombic | 1.19 | 1.2419 | -1.330 | 0.42 |
| Fm-3m (No. 225) | Cubic | — | — | — | 5.87 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.05 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.05 |
Uses
Applications
Where LiMg2Au is used.
Materials science researchSolid-state physics studiesFundamental crystallographic analysis
Reference
Frequently Asked Questions
Common questions about LiMg2Au, answered from cross-validated data.
What is LiMg2Au?
This compound is a ternary intermetallic phase composed of lithium, magnesium, and gold. It is primarily studied in the field of condensed matter physics and materials science for its unique structural properties and electronic characteristics.
What is LiMg2Au used for?
LiMg2Au is used in materials science research, solid-state physics studies, and fundamental crystallographic analysis.
What is the band gap of LiMg2Au?
LiMg2Au has a DFT-computed band gap of 1.19 eV across 6 reported structures.
Is LiMg2Au a metal, semiconductor, or insulator?
With a band gap up to 1.19 eV it is a semiconductor.
Is LiMg2Au thermodynamically stable?
Yes — LiMg2Au sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiMg2Au?
The lowest-energy reported polymorph of LiMg2Au is cubic symmetry, space group Fm-3m (No. 225).
What is the density of LiMg2Au?
The computed density of the ground-state structure of LiMg2Au is 6.05 g/cm³.
How many polymorphs of LiMg2Au are known?
6 structures of LiMg2Au are reported across 3 databases, spanning 2 distinct space groups.
What elements does LiMg2Au contain?
LiMg2Au contains Au, Li, and Mg (3 elements).
Where does the data for LiMg2Au come from?
LiMg2Au data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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