La2I5
La2I5 is a stable, semiconducting lanthanum iodide compound known for its structural complexity.
About La2I5
La2I5 is a distinct lanthanum-based iodide compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within the rare-earth halide family.
The compound is characterized by significant structural diversity, with multiple reported configurations across materials databases. Its stability and electronic profile make it a subject of interest for fundamental solid-state chemistry studies and potential specialized electronic applications.
Key Properties
Cross-validated computational properties for La2I5, aggregated across 4 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 La2I5, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.17 | 0.0000 | -4.277 | 5.11 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.94 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.95 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.99 |
| P21/m (No. 11) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.74 |
Applications
Where La2I5 is used.
Frequently Asked Questions
Common questions about La2I5, answered from cross-validated data.
What is La2I5?
La2I5 is a stable, semiconducting lanthanum iodide compound known for its structural complexity.
What is La2I5 used for?
What is the band gap of La2I5?
Is La2I5 a metal, semiconductor, or insulator?
Is La2I5 thermodynamically stable?
What is the crystal structure of La2I5?
What is the density of La2I5?
How many polymorphs of La2I5 are known?
What elements does La2I5 contain?
Where does the data for La2I5 come from?
How It Compares
As a unique lanthanum-rich iodide, La2I5 serves as a foundational example of stability within the rare-earth halide class, providing a benchmark for understanding how lanthanum and iodine atoms coordinate to form stable semiconducting architectures.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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