LaMg3
LaMg3 is a stable metallic intermetallic compound formed from lanthanum and magnesium.
About LaMg3
LaMg3 is a metallic intermetallic compound composed of lanthanum and magnesium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within the lanthanum-magnesium binary system.
This material is characterized by its metallic electronic nature, which makes it a subject of interest in studies regarding alloy development and hydrogen storage research. Its structural stability is evidenced by its frequent appearance across multiple crystallographic databases.
Key Properties
Cross-validated computational properties for LaMg3, aggregated across 6 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 LaMg3. 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 LaMg3, 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 | -2.567 | 3.37 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -0.131 | — |
| — | — | 0.00 | 0.0002 | -0.136 | — |
| — | — | 0.00 | 0.0004 | -0.136 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0007 | -0.131 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0008 | -0.131 | — |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0011 | -2.566 | 3.35 |
| — | — | 0.00 | 0.0019 | -0.134 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0406 | -2.526 | 3.21 |
| — | — | 0.00 | 0.0425 | -0.094 | — |
| Pmm2 (No. 25) | orthorhombic | 0.00 | 0.0872 | -0.044 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0874 | -2.479 | 3.13 |
Synthesis Routes
Literature-extracted synthesis procedures targeting LaMg3.
Applications
Where LaMg3 is used.
Frequently Asked Questions
Common questions about LaMg3, answered from cross-validated data.
What is LaMg3?
LaMg3 is a stable metallic intermetallic compound formed from lanthanum and magnesium.
What is LaMg3 used for?
What is the band gap of LaMg3?
Is LaMg3 a metal, semiconductor, or insulator?
Is LaMg3 thermodynamically stable?
What is the crystal structure of LaMg3?
What is the density of LaMg3?
How many polymorphs of LaMg3 are known?
How is LaMg3 synthesized?
What elements does LaMg3 contain?
Where does the data for LaMg3 come from?
How It Compares
As a stable intermetallic phase, LaMg3 serves as a foundational reference point for understanding the phase behavior and structural characteristics of lanthanum-magnesium alloys.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze LaMg3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →