LaSO
LaSO is a stable, semiconducting inorganic compound containing lanthanum, sulfur, and oxygen.
About LaSO
LaSO is a semiconducting compound composed of lanthanum, sulfur, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration that is of significant interest for fundamental materials research.
Its unique elemental combination allows for diverse electronic tuning, making it a subject of investigation for researchers looking to develop new functional materials. The compound has been identified across multiple structural databases, reflecting its status as a well-documented material in the field of inorganic chemistry.
Key Properties
Cross-validated computational properties for LaSO, 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 LaSO. 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 LaSO, 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. |
|---|---|---|---|---|---|
| — | — | 1.70 | 0.0000 | -2.893 | — |
| Cmce (No. 64) | orthorhombic | 1.54 | 0.0000 | -2.891 | — |
| Cmce (No. 64) | orthorhombic | 1.49 | 0.0000 | -7.725 | 5.32 |
| Pbcm (No. 57) | orthorhombic | 1.49 | 0.0003 | -7.725 | 5.27 |
| — | — | 1.70 | 0.0004 | -2.892 | — |
| — | — | 0.00 | 0.2756 | -2.617 | — |
| — | — | 0.39 | 0.5045 | -2.388 | — |
| Pbcm (No. 57) | orthorhombic | — | — | — | 5.34 |
| Cmce (No. 64) | orthorhombic | — | — | — | 5.33 |
| Cmce (No. 64) | orthorhombic | — | — | — | 5.33 |
| Cmce (No. 64) | orthorhombic | — | — | — | 5.27 |
| Pbcm (No. 57) | orthorhombic | — | — | — | 5.27 |
Applications
Where LaSO is used.
Frequently Asked Questions
Common questions about LaSO, answered from cross-validated data.
What is LaSO?
LaSO is a stable, semiconducting inorganic compound containing lanthanum, sulfur, and oxygen.
What is LaSO used for?
What is the band gap of LaSO?
Is LaSO a metal, semiconductor, or insulator?
Is LaSO thermodynamically stable?
What is the crystal structure of LaSO?
How many polymorphs of LaSO are known?
What elements does LaSO contain?
Where does the data for LaSO come from?
How It Compares
As a distinct semiconducting compound, LaSO occupies a unique position within the landscape of ternary lanthanum-based chalcogenides. Its thermodynamic stability distinguishes it as a reliable candidate for further experimental characterization compared to less stable or metastable phases often encountered in this chemical space.
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)
- 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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