LaSe2
LaSe2 is a stable, semiconducting lanthanum selenide compound characterized by a high degree of structural diversity.
About LaSe2
LaSe2 is a lanthanum-based chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within the lanthanum-selenium system, offering significant structural reliability for research applications.
With numerous reported structures documented across major materials databases, this compound is a subject of extensive crystallographic interest. Its stability and predictable electronic profile make it a valuable candidate for exploring the fundamental physics of rare-earth chalcogenides.
Key Properties
Cross-validated computational properties for LaSe2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LaSe2. 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 LaSe2, 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. |
|---|---|---|---|---|---|
| — | — | 0.26 | 0.0000 | -1.766 | — |
| P21/c (No. 14) | monoclinic | 0.24 | 0.0000 | -21.481 | 6.25 |
| P21/c (No. 14) | monoclinic | 0.21 | 0.0000 | -1.861 | — |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0190 | -1.842 | — |
| — | — | 0.00 | 0.0248 | -1.741 | — |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0397 | -21.441 | 6.35 |
| P21/c (No. 14) | monoclinic | 1.34 | 0.1326 | -21.349 | 5.70 |
| — | — | 1.42 | 0.1344 | -1.632 | — |
| — | — | 0.00 | 0.2586 | -1.508 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.3563 | -1.504 | — |
| — | — | 0.00 | 0.8648 | -0.901 | — |
| — | — | 0.00 | 1.2532 | -0.513 | — |
Applications
Where LaSe2 is used.
Frequently Asked Questions
Common questions about LaSe2, answered from cross-validated data.
What is LaSe2?
LaSe2 is a stable, semiconducting lanthanum selenide compound characterized by a high degree of structural diversity.
What is LaSe2 used for?
What is the band gap of LaSe2?
Is LaSe2 a metal, semiconductor, or insulator?
Is LaSe2 thermodynamically stable?
What is the crystal structure of LaSe2?
What is the density of LaSe2?
How many polymorphs of LaSe2 are known?
What elements does LaSe2 contain?
Where does the data for LaSe2 come from?
How It Compares
As a member of the lanthanum selenide family, LaSe2 serves as a foundational binary phase. Without direct structural analogs provided in this class, it stands as a primary reference point for understanding the stoichiometry and bonding characteristics of stable lanthanum-selenium systems.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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