La6O6Sb2
La6O6Sb2 is a stable semiconducting compound composed of lanthanum, oxygen, and antimony.
About La6O6Sb2
La6O6Sb2 is a complex ternary oxoantimonide characterized by its semiconducting electronic structure. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of lanthanum, oxygen, and antimony atoms that maintains structural integrity under standard conditions. Its existence across multiple reported structures highlights its significance in the systematic exploration of rare-earth pnictide-oxide systems. This compound serves as a valuable subject for investigating the interplay between heavy lanthanide cations and pnictogen-oxygen frameworks, which are often explored for their unique electronic and optical properties. By bridging the gap between simple oxides and complex intermetallics, La6O6Sb2 contributes to the fundamental understanding of chemical bonding in multi-anionic materials.
Key Properties
Cross-validated computational properties for La6O6Sb2, aggregated across 4 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.
Reported Structures
Lowest-energy structures reported for La6O6Sb2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.72 | 0.0000 | -7.999 | 6.28 |
| No. 0 | unknown | — | — | — | 1.58 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 6.23 |
Applications
Where La6O6Sb2 is used.
Frequently Asked Questions
Common questions about La6O6Sb2, answered from cross-validated data.
What is La6O6Sb2?
La6O6Sb2 is a stable semiconducting compound composed of lanthanum, oxygen, and antimony.
What is La6O6Sb2 used for?
What is the band gap of La6O6Sb2?
Is La6O6Sb2 a metal, semiconductor, or insulator?
Is La6O6Sb2 thermodynamically stable?
What is the crystal structure of La6O6Sb2?
What is the density of La6O6Sb2?
How many polymorphs of La6O6Sb2 are known?
What elements does La6O6Sb2 contain?
Where does the data for La6O6Sb2 come from?
How It Compares
As a member of the lanthanum oxoantimonide family, La6O6Sb2 stands out due to its confirmed thermodynamic stability, which makes it a reliable reference point for experimental synthesis and computational modeling within this class of materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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