Au2LaMg
Au2LaMg is a thermodynamically stable, semiconducting ternary intermetallic compound composed of gold, lanthanum, and magnesium.
About Au2LaMg
Au2LaMg is a distinct intermetallic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of gold, lanthanum, and magnesium atoms that maintains structural integrity under standard conditions.
This material is of significant interest to researchers investigating complex ternary systems where the interplay between heavy rare-earth elements and noble metals dictates electronic behavior. Its stability makes it a reliable candidate for fundamental studies into the relationship between atomic arrangement and semiconducting properties in multi-component metallic systems.
Key Properties
Cross-validated computational properties for Au2LaMg, 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 Au2LaMg. 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 Au2LaMg, 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 | -4.008 | 10.07 |
| Immm (No. 71) | orthorhombic | 0.20 | 1.7883 | -2.220 | 0.55 |
| — | — | — | — | — | 9.06 |
| No. 0 | unknown | — | — | — | 4.13 |
Applications
Where Au2LaMg is used.
Frequently Asked Questions
Common questions about Au2LaMg, answered from cross-validated data.
What is Au2LaMg?
Au2LaMg is a thermodynamically stable, semiconducting ternary intermetallic compound composed of gold, lanthanum, and magnesium.
What is Au2LaMg used for?
What is the band gap of Au2LaMg?
Is Au2LaMg a metal, semiconductor, or insulator?
Is Au2LaMg thermodynamically stable?
What is the crystal structure of Au2LaMg?
What is the density of Au2LaMg?
How many polymorphs of Au2LaMg are known?
What elements does Au2LaMg contain?
Where does the data for Au2LaMg come from?
How It Compares
As a unique ternary intermetallic, Au2LaMg serves as a foundational example of how gold-lanthanum-magnesium combinations can achieve thermodynamic stability while exhibiting semiconducting behavior, providing a benchmark for future exploration of similar complex intermetallic phases.
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).
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