La4Se3O4
La4Se3O4 is a stable, semiconducting lanthanum oxyselenide used in advanced materials research.
About La4Se3O4
La4Se3O4 is a complex lanthanum oxyselenide that exists as a stable phase on the thermodynamic convex hull. Its electronic character as a semiconductor makes it an intriguing subject for research into materials that bridge the gap between traditional oxides and chalcogenides.
Because it is supported by multiple structural reports across major databases, this compound serves as a reliable reference point for structural chemistry. Its stable configuration suggests potential utility in specialized electronic or optoelectronic devices where consistent material behavior is required.
Key Properties
Cross-validated computational properties for La4Se3O4, 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 La4Se3O4. 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 La4Se3O4, 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. |
|---|---|---|---|---|---|
| Amm2 (No. 38) | orthorhombic | 1.75 | 0.0000 | -3.056 | — |
| Amm2 (No. 38) | orthorhombic | 1.32 | 0.0000 | -7.675 | 6.13 |
| — | — | 1.57 | 0.0005 | -3.033 | — |
| — | — | 0.00 | 0.1334 | -2.900 | — |
| Amm2 (No. 38) | orthorhombic | — | — | — | 6.10 |
| Amm2 (No. 38) | orthorhombic | — | — | — | 6.19 |
| Amm2 (No. 38) | orthorhombic | — | — | — | 6.07 |
| Amm2 (No. 38) | orthorhombic | — | — | — | 6.13 |
| Amm2 (No. 38) | orthorhombic | — | — | — | 6.15 |
Applications
Where La4Se3O4 is used.
Frequently Asked Questions
Common questions about La4Se3O4, answered from cross-validated data.
What is La4Se3O4?
La4Se3O4 is a stable, semiconducting lanthanum oxyselenide used in advanced materials research.
What is La4Se3O4 used for?
What is the band gap of La4Se3O4?
Is La4Se3O4 a metal, semiconductor, or insulator?
Is La4Se3O4 thermodynamically stable?
What is the crystal structure of La4Se3O4?
How many polymorphs of La4Se3O4 are known?
What elements does La4Se3O4 contain?
Where does the data for La4Se3O4 come from?
How It Compares
As a distinct oxyselenide, La4Se3O4 occupies a specialized niche in materials science. Unlike simpler binary oxides or chalcogenides, this compound leverages the interplay between lanthanum, selenium, and oxygen to achieve a stable semiconducting state, representing a sophisticated structural arrangement within its 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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