LaSe
LaSe is a stable, metallic binary compound composed of lanthanum and selenium.
About LaSe
LaSe is a binary lanthanum selenide that exists as a thermodynamically stable phase on the convex hull. Its electronic structure is characterized by metallic behavior, lacking a band gap, which distinguishes it from many insulating chalcogenide counterparts.
Due to its high structural diversity, this compound has been extensively cataloged across multiple materials databases. Its stability and metallic nature make it a significant subject for fundamental studies into the electronic properties of rare-earth-based materials.
Key Properties
Cross-validated computational properties for LaSe, 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.
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 LaSe. 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 LaSe, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.00 | 0.0000 | -2.115 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -24.292 | 6.37 |
| — | — | 0.00 | 0.0000 | -2.000 | — |
| — | — | 0.00 | 0.0001 | -2.000 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0497 | -2.066 | — |
| — | — | 0.00 | 0.1778 | -1.822 | — |
| — | — | 0.00 | 0.2387 | -1.761 | — |
| — | — | 0.00 | 0.2388 | -1.761 | — |
| — | — | 0.00 | 0.2391 | -1.761 | — |
| — | — | 0.00 | 0.2407 | -1.759 | — |
| P-1 (No. 2) | triclinic | 0.00 | 0.2413 | -24.051 | 2.29 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.2429 | -24.049 | 2.37 |
Applications
Where LaSe is used.
Frequently Asked Questions
Common questions about LaSe, answered from cross-validated data.
What is LaSe?
LaSe is a stable, metallic binary compound composed of lanthanum and selenium.
What is LaSe used for?
What is the band gap of LaSe?
Is LaSe a metal, semiconductor, or insulator?
Is LaSe thermodynamically stable?
What is the crystal structure of LaSe?
What is the density of LaSe?
How many polymorphs of LaSe are known?
What elements does LaSe contain?
Where does the data for LaSe come from?
How It Compares
As a member of the lanthanum-selenium binary system, LaSe represents a foundational phase in the study of rare-earth chalcogenides. It occupies a distinct position as a stable metallic conductor, serving as a baseline for understanding the structural and electronic trends within this specific chemical family.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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