CNdO3
CNdO3 is a semiconducting ternary oxide containing neodymium, carbon, and oxygen that is currently studied for its structural properties.
About CNdO3
CNdO3 is a semiconducting compound composed of carbon, neodymium, and oxygen. Its electronic character suggests potential utility in specialized electronic or optoelectronic research where specific semiconducting properties are required.
Due to its position above the thermodynamic hull, this material is considered metastable, making it a subject of interest for synthesis studies and structural characterization. It represents an intriguing entry in the landscape of rare-earth carbon-based oxides.
Key Properties
Cross-validated computational properties for CNdO3, 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 CNdO3. 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 CNdO3, 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/c (No. 14) | monoclinic | 0.47 | 0.6473 | -7.250 | 2.98 |
| — | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.12 |
| — | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.11 |
Applications
Where CNdO3 is used.
Patent Landscape
1 patent reference CNdO3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 8248032 | Charging system for prioritizing load consumption in a notebook computer | — | — |
Frequently Asked Questions
Common questions about CNdO3, answered from cross-validated data.
What is CNdO3?
CNdO3 is a semiconducting ternary oxide containing neodymium, carbon, and oxygen that is currently studied for its structural properties.
What is CNdO3 used for?
What is the band gap of CNdO3?
Is CNdO3 a metal, semiconductor, or insulator?
Is CNdO3 thermodynamically stable?
What is the crystal structure of CNdO3?
What is the density of CNdO3?
How many polymorphs of CNdO3 are known?
What elements does CNdO3 contain?
Where does the data for CNdO3 come from?
How It Compares
As a unique ternary oxide, CNdO3 occupies a distinct niche in materials science. Without direct structural siblings in its immediate class, it serves as a primary example of the complex chemical space accessible through the combination of lanthanide elements with carbon and oxygen.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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