La2Se3
La2Se3 is a thermodynamically stable semiconducting compound composed of lanthanum and selenium.
About La2Se3
La2Se3 is a stable lanthanum selenide that exhibits semiconducting electronic behavior. As a member of the rare-earth chalcogenide family, it is recognized for its structural versatility, supported by multiple reported crystalline configurations across various databases. Its thermodynamic stability on the convex hull makes it a reliable candidate for fundamental research into electronic materials. The compound is primarily studied for its potential in specialized electronic and optoelectronic applications where specific semiconductor characteristics are required. Its ability to maintain structural integrity under various conditions positions it as a significant subject for exploring the interplay between lanthanide chemistry and chalcogen-based architectures.
Key Properties
Cross-validated computational properties for La2Se3, 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 La2Se3, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 1.58 | 0.0000 | -22.827 | 6.05 |
| R-3c (No. 167) | — | — | — | — | — |
| — | — | — | — | — | 5.63 |
| — | — | — | — | — | 5.63 |
| P-3m1 (No. 164) | — | — | — | — | — |
Applications
Where La2Se3 is used.
Frequently Asked Questions
Common questions about La2Se3, answered from cross-validated data.
What is La2Se3?
La2Se3 is a thermodynamically stable semiconducting compound composed of lanthanum and selenium.
What is La2Se3 used for?
What is the band gap of La2Se3?
Is La2Se3 a metal, semiconductor, or insulator?
Is La2Se3 thermodynamically stable?
What is the crystal structure of La2Se3?
What is the density of La2Se3?
How many polymorphs of La2Se3 are known?
What elements does La2Se3 contain?
Where does the data for La2Se3 come from?
How It Compares
As a distinct lanthanum selenide, this compound serves as a foundational example of rare-earth chalcogenide behavior. While it does not have direct siblings listed in this specific class, it represents the broader category of stable, semiconducting binary compounds that are essential for understanding the electronic tuning possible within the lanthanide series.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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