LaMg2
LaMg2 is a metallic intermetallic compound formed from lanthanum and magnesium that is considered thermodynamically stable and likely synthesizable.
About LaMg2
LaMg2 is a metallic intermetallic compound composed of lanthanum and magnesium. Its electronic structure is characterized by a lack of a band gap, identifying it as a conductor typical of metallic alloys. The material is recognized for its structural diversity, with numerous reported configurations across multiple databases. Its status as a near-hull phase suggests it is thermodynamically favorable and likely synthesizable under controlled conditions, making it a subject of interest for researchers studying rare-earth alloy systems. The combination of lanthanum and magnesium provides a unique platform for exploring the physical properties of light-rare-earth intermetallics. Its stability and structural data richness position it as a viable candidate for experimental investigation in metallurgy and materials science.
Key Properties
Cross-validated computational properties for LaMg2, aggregated across 5 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 LaMg2. 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 LaMg2, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.00 | 0.0025 | -2.837 | 3.68 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0284 | -2.811 | 3.67 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0789 | -2.760 | 3.71 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0875 | -2.752 | 3.62 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.1112 | -2.728 | 3.67 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1139 | -2.725 | 3.73 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1270 | -2.712 | 3.66 |
| P-62m (No. 189) | hexagonal | 0.00 | 0.1339 | -2.705 | 3.63 |
| No. 0 | unknown | — | — | — | 0.74 |
| No. 0 | unknown | — | — | — | 0.65 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.62 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.69 |
Applications
Where LaMg2 is used.
Frequently Asked Questions
Common questions about LaMg2, answered from cross-validated data.
What is LaMg2?
LaMg2 is a metallic intermetallic compound formed from lanthanum and magnesium that is considered thermodynamically stable and likely synthesizable.
What is LaMg2 used for?
What is the band gap of LaMg2?
Is LaMg2 a metal, semiconductor, or insulator?
Is LaMg2 thermodynamically stable?
What is the crystal structure of LaMg2?
What is the density of LaMg2?
How many polymorphs of LaMg2 are known?
What elements does LaMg2 contain?
Where does the data for LaMg2 come from?
How It Compares
As a distinct intermetallic phase, LaMg2 represents a specific stoichiometry within the lanthanum-magnesium binary system. While it occupies a unique space in the phase diagram, it serves as a key reference point for understanding how the integration of rare-earth elements with alkaline earth metals influences the overall structural stability and electronic behavior of metallic compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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