AuLi2Mg
This is a ternary intermetallic compound composed of gold, lithium, and magnesium. It is primarily studied in materials science research for its unique crystal structure and electronic properties in the context of alloy development.
AuLiMg
Overview
Key Properties
Cross-validated computational properties for AuLi2Mg, aggregated across 4 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.
0.64 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.
0.003 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
4 databases, 4 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AuLi2Mg. 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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
materials_project, nomad
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for AuLi2Mg, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.00 | 0.0030 | -2.612 | 5.98 |
| Immm (No. 71) | orthorhombic | 0.64 | 1.1663 | -1.448 | 0.43 |
| P4mm (No. 99) | — | — | — | — | — |
| — | — | — | — | — | 5.58 |
| No. 0 | unknown | — | — | — | 1.46 |
| — | — | — | — | — | 6.01 |
Uses
Applications
Where AuLi2Mg is used.
Materials science researchFundamental condensed matter physics studiesAlloy design
Reference
Frequently Asked Questions
Common questions about AuLi2Mg, answered from cross-validated data.
What is AuLi2Mg?
This is a ternary intermetallic compound composed of gold, lithium, and magnesium. It is primarily studied in materials science research for its unique crystal structure and electronic properties in the context of alloy development.
More questions
What is AuLi2Mg used for?
AuLi2Mg is used in materials science research, fundamental condensed matter physics studies, and alloy design.
What is the band gap of AuLi2Mg?
AuLi2Mg has a DFT-computed band gap of 0.64 eV across 6 reported structures.
Is AuLi2Mg a metal, semiconductor, or insulator?
With a band gap up to 0.64 eV it is a semiconductor.
Is AuLi2Mg thermodynamically stable?
AuLi2Mg has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
What is the crystal structure of AuLi2Mg?
The lowest-energy reported polymorph of AuLi2Mg is cubic symmetry, space group F-43m (No. 216).
What is the density of AuLi2Mg?
The computed density of the ground-state structure of AuLi2Mg is 5.98 g/cm³.
How many polymorphs of AuLi2Mg are known?
6 structures of AuLi2Mg are reported across 4 databases, spanning 4 distinct space groups.
What elements does AuLi2Mg contain?
AuLi2Mg contains Au, Li, and Mg (3 elements).
Where does the data for AuLi2Mg come from?
AuLi2Mg data is cross-referenced from materials_project, nomad, omat24, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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