LaNO5
LaNO5 is a semiconducting lanthanum oxynitride compound that exists in a metastable state.
About LaNO5
LaNO5 is a complex lanthanum-based oxynitride that exhibits semiconducting electronic behavior. Its composition highlights the intricate interplay between rare-earth cations and nitrogen-oxygen anionic frameworks, making it a subject of interest for fundamental materials research.
Due to its position above the thermodynamic hull, this compound is considered metastable, suggesting that its synthesis requires precise control over chemical potential and processing conditions. It represents an intriguing entry in the broader landscape of lanthanum-nitrogen-oxygen systems.
Key Properties
Cross-validated computational properties for LaNO5, 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 LaNO5. 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 LaNO5, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 0.00 | 0.1600 | -7.111 | 3.58 |
| P-1 (No. 2) | triclinic | 0.20 | 0.4698 | -6.027 | 3.44 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.58 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.72 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.63 |
| P21/m (No. 11) | monoclinic | — | — | — | 1.97 |
Frequently Asked Questions
Common questions about LaNO5, answered from cross-validated data.
What is LaNO5?
LaNO5 is a semiconducting lanthanum oxynitride compound that exists in a metastable state.
What is the band gap of LaNO5?
Is LaNO5 a metal, semiconductor, or insulator?
Is LaNO5 thermodynamically stable?
What is the crystal structure of LaNO5?
What is the density of LaNO5?
How many polymorphs of LaNO5 are known?
What elements does LaNO5 contain?
Where does the data for LaNO5 come from?
How It Compares
As a unique inorganic compound, LaNO5 serves as a specialized case study within the broader family of lanthanum oxynitrides, offering distinct structural motifs that differentiate it from more conventional, highly stable ceramic oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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