LaSeF
LaSeF is a stable, semiconducting ternary compound containing lanthanum, selenium, and fluorine.
About LaSeF
LaSeF is a distinct ternary compound composed of lanthanum, selenium, and fluorine. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that is well-defined within materials databases. Its electronic character as a semiconductor makes it an intriguing subject for fundamental studies in solid-state physics and materials science. The existence of multiple reported structures highlights its structural versatility and the interest it garners in computational and experimental research circles. By balancing rare-earth metal chemistry with chalcogenide and halide components, this material occupies a unique niche in inorganic chemistry.
Key Properties
Cross-validated computational properties for LaSeF, aggregated across 3 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 LaSeF. 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 LaSeF, 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. |
|---|---|---|---|---|---|
| — | — | 1.82 | 0.0000 | -3.143 | — |
| P63/mmc (No. 194) | hexagonal | 1.80 | 0.0000 | -3.178 | — |
| — | — | 1.82 | 0.0013 | -3.142 | — |
| — | — | 1.30 | 0.0047 | -3.138 | — |
| P63/mmc (No. 194) | hexagonal | 1.72 | 0.1362 | -6.593 | 6.20 |
| — | — | 1.04 | 0.3394 | -2.804 | — |
| — | — | 2.08 | 0.3483 | -2.795 | — |
| — | — | 0.52 | 0.6285 | -2.514 | — |
| — | — | 0.00 | 0.8666 | -2.276 | — |
| — | — | 0.00 | 0.8832 | -2.260 | — |
| P21/m (No. 11) | monoclinic | — | — | — | 4.28 |
| P4/nmm (No. 129) | tetragonal | — | — | — | 5.19 |
Applications
Where LaSeF is used.
Frequently Asked Questions
Common questions about LaSeF, answered from cross-validated data.
What is LaSeF?
LaSeF is a stable, semiconducting ternary compound containing lanthanum, selenium, and fluorine.
What is LaSeF used for?
What is the band gap of LaSeF?
Is LaSeF a metal, semiconductor, or insulator?
Is LaSeF thermodynamically stable?
What is the crystal structure of LaSeF?
How many polymorphs of LaSeF are known?
What elements does LaSeF contain?
Where does the data for LaSeF come from?
How It Compares
As a standalone entry in its current classification, LaSeF serves as a primary reference point for studying the interplay between lanthanum-based chalcogenides and fluorides. Its thermodynamic stability distinguishes it as a reliable candidate for further investigation compared to more metastable or hypothetical phases within similar chemical spaces.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze LaSeF in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →