LaMg3
Lanthanum trimagnesium is an intermetallic compound composed of lanthanum and magnesium. It is primarily studied for its structural properties and potential roles in hydrogen storage research.
LaMg
Overview
Key Properties
Cross-validated computational properties for LaMg3, 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.
Metallic / not reported
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)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
23
5 databases, 7 space groups
Crystallography
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 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0011 | -2.566 | 3.35 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0406 | -2.526 | 3.21 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0874 | -2.479 | 3.13 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0905 | -2.476 | 3.14 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.15 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 3.25 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.14 |
Uses
Applications
Where LaMg3 is used.
Hydrogen storage researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about LaMg3, answered from cross-validated data.
What is LaMg3?
Lanthanum trimagnesium is an intermetallic compound composed of lanthanum and magnesium. It is primarily studied for its structural properties and potential roles in hydrogen storage research.
More questions
What is LaMg3 used for?
LaMg3 is used in hydrogen storage research and materials science studies.
What is the band gap of LaMg3?
LaMg3 is computed to be metallic (no band gap) in the reported DFT structures.
Is LaMg3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is LaMg3 thermodynamically stable?
Yes — LaMg3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LaMg3?
The lowest-energy reported polymorph of LaMg3 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of LaMg3?
The computed density of the ground-state structure of LaMg3 is 3.37 g/cm³.
How many polymorphs of LaMg3 are known?
23 structures of LaMg3 are reported across 5 databases, spanning 7 distinct space groups.
What elements does LaMg3 contain?
LaMg3 contains La and Mg (2 elements).
Where does the data for LaMg3 come from?
LaMg3 data is cross-referenced from materials_project, mpaloe, jarvis, omat24, nomad.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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