LaMgI5
LaMgI5 is a semiconducting lanthanum magnesium iodide compound that is considered a viable candidate for synthesis due to its thermodynamic stability.
About LaMgI5
LaMgI5 is a complex iodide material that exhibits semiconducting electronic behavior. Its structural configuration suggests a degree of thermodynamic stability that indicates it is a viable target for experimental synthesis and characterization within the broader landscape of halide-based materials.
As a material with multiple reported structural variations, it serves as a point of interest for researchers investigating the interplay between rare-earth elements and alkaline earth metals in halide systems. Its potential for synthesis makes it a notable subject for exploring new semiconducting architectures.
Key Properties
Cross-validated computational properties for LaMgI5, aggregated across 2 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.
Reported Structures
Lowest-energy structures reported for LaMgI5, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 2.09 | 0.0154 | -3.616 | 4.69 |
| Pnma (No. 62) | orthorhombic | 1.98 | 0.0179 | -3.614 | 4.64 |
| P21/c (No. 14) | monoclinic | 2.68 | 0.0709 | -3.561 | 3.19 |
| Cc (No. 9) | monoclinic | 2.68 | 0.0749 | -3.557 | 3.77 |
| P21 (No. 4) | monoclinic | 2.62 | 0.0918 | -3.540 | 3.27 |
| P21/c (No. 14) | monoclinic | 2.60 | 0.0946 | -3.537 | 3.85 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.79 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.92 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.92 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.85 |
| Cc (No. 9) | Monoclinic | — | — | — | 3.80 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.56 |
Applications
Where LaMgI5 is used.
Frequently Asked Questions
Common questions about LaMgI5, answered from cross-validated data.
What is LaMgI5?
LaMgI5 is a semiconducting lanthanum magnesium iodide compound that is considered a viable candidate for synthesis due to its thermodynamic stability.
What is LaMgI5 used for?
What is the band gap of LaMgI5?
Is LaMgI5 a metal, semiconductor, or insulator?
Is LaMgI5 thermodynamically stable?
What is the crystal structure of LaMgI5?
What is the density of LaMgI5?
How many polymorphs of LaMgI5 are known?
What elements does LaMgI5 contain?
Where does the data for LaMgI5 come from?
How It Compares
As a unique iodide-based compound, LaMgI5 represents a specialized entry in the field of inorganic halides. While it currently stands as a distinct material, its properties contribute to the foundational understanding of how lanthanum and magnesium ions coordinate within complex anionic frameworks to influence electronic behavior.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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