LaScO3
lanthanum scandate · lanthanum scandium oxide
LaScO3 is a thermodynamically stable, wide-gap insulating oxide utilized in advanced electronic and dielectric research.
About lanthanum scandate
Lanthanum scandate is a robust, thermodynamically stable oxide that functions as a wide-gap insulator. Its structural integrity and electronic properties make it a subject of significant interest for researchers investigating high-performance dielectric materials. The compound is characterized by a high degree of structural diversity, with multiple reported configurations across various databases. This versatility allows it to serve as a foundational material for specialized electronic and thin-film applications where stable insulating behavior is required.
Key Properties
Cross-validated computational properties for lanthanum scandate, 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 LaScO3. 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 LaScO3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.90 | 0.0000 | -9.173 | 5.76 |
| — | — | 4.10 | 0.0004 | -3.788 | — |
| — | — | 4.10 | 0.0241 | -3.765 | — |
| — | — | 4.29 | 0.0287 | -3.760 | — |
| — | — | 3.49 | 0.0605 | -3.728 | — |
| — | — | 4.32 | 0.1119 | -3.677 | — |
| — | — | 3.68 | 0.1404 | -3.649 | — |
| Pm-3m (No. 221) | cubic | 2.79 | 0.1435 | -3.623 | — |
| — | — | 2.88 | 0.2038 | -3.585 | — |
| Pm-3m (No. 221) | cubic | 2.82 | 0.2041 | -8.969 | 5.67 |
| — | — | 2.96 | 0.2072 | -3.582 | — |
| — | — | 2.96 | 0.2077 | -3.581 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting LaScO3.
Applications
Where lanthanum scandate is used.
Frequently Asked Questions
Common questions about lanthanum scandate, answered from cross-validated data.
What is LaScO3?
LaScO3 is a thermodynamically stable, wide-gap insulating oxide utilized in advanced electronic and dielectric research.
What is LaScO3 used for?
What is the band gap of LaScO3?
Is LaScO3 a metal, semiconductor, or insulator?
Is LaScO3 thermodynamically stable?
What is the crystal structure of LaScO3?
What is the density of LaScO3?
How many polymorphs of LaScO3 are known?
How is LaScO3 synthesized?
What elements does LaScO3 contain?
Where does the data for LaScO3 come from?
How It Compares
As a stable, wide-gap insulating oxide, LaScO3 represents a highly reliable material within the broader family of rare-earth scandates. It is valued for its thermodynamic stability, which ensures consistent performance in demanding environments compared to less robust insulating alternatives.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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