C6La12O30
C6La12O30 is a thermodynamically stable, insulating lanthanum oxide compound used in fundamental materials science research.
About C6La12O30
C6La12O30 is a complex lanthanum-based oxide characterized by its wide-gap insulating electronic profile. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of lanthanum, carbon, and oxygen atoms. Its stability makes it an intriguing candidate for fundamental studies in solid-state chemistry and materials design.
The compound is recognized for its structural versatility, with multiple reported configurations across various databases. This diversity highlights its importance in understanding the coordination chemistry of lanthanum oxides, offering researchers a stable platform to investigate the interplay between its constituent elements in insulating frameworks.
Key Properties
Cross-validated computational properties for C6La12O30, 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.
Reported Structures
Lowest-energy structures reported for C6La12O30, 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/c (No. 15) | monoclinic | 4.02 | 0.0000 | -8.758 | 5.36 |
| Ama2 (No. 40) | orthorhombic | 3.93 | 0.0017 | -8.756 | 5.40 |
| Ama2 (No. 40) | orthorhombic | 4.01 | 0.0208 | -8.737 | 5.24 |
| — | — | — | — | — | 4.80 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where C6La12O30 is used.
Frequently Asked Questions
Common questions about C6La12O30, answered from cross-validated data.
What is C6La12O30?
C6La12O30 is a thermodynamically stable, insulating lanthanum oxide compound used in fundamental materials science research.
What is C6La12O30 used for?
What is the band gap of C6La12O30?
Is C6La12O30 a metal, semiconductor, or insulator?
Is C6La12O30 thermodynamically stable?
What is the crystal structure of C6La12O30?
What is the density of C6La12O30?
How many polymorphs of C6La12O30 are known?
What elements does C6La12O30 contain?
Where does the data for C6La12O30 come from?
How It Compares
As a unique inorganic phase, C6La12O30 serves as a distinct example of stable lanthanum-based oxides. Unlike more common binary oxides, this compound demonstrates the potential for complex structural motifs within its specific elemental class, providing a specialized reference point for future explorations of lanthanum-carbon-oxygen systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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