CDyO4
CDyO4 is a metastable semiconducting compound consisting of carbon, dysprosium, and oxygen atoms.
About CDyO4
CDyO4 is a complex inorganic compound composed of carbon, dysprosium, and oxygen. As a semiconducting material, it exhibits electronic properties that bridge the gap between conductors and insulators, making it a subject of interest for specialized research in materials science.
This compound is characterized as metastable, meaning it exists in a state that is not the absolute lowest energy configuration. Its structural complexity is highlighted by the presence of multiple reported configurations, reflecting the intricate ways these elements can arrange themselves at the atomic level.
Key Properties
Cross-validated computational properties for CDyO4, aggregated across 2 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 CDyO4. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for CDyO4, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for CDyO4, 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. |
|---|---|---|---|---|---|
| P-6 (No. 174) | hexagonal | 0.11 | 0.0871 | -8.135 | 5.83 |
| P212121 (No. 19) | orthorhombic | 0.75 | 0.1330 | -8.089 | 5.20 |
| P21/m (No. 11) | monoclinic | — | — | — | 3.94 |
Frequently Asked Questions
Common questions about CDyO4, answered from cross-validated data.
What is CDyO4?
CDyO4 is a metastable semiconducting compound consisting of carbon, dysprosium, and oxygen atoms.
What is the band gap of CDyO4?
Is CDyO4 a metal, semiconductor, or insulator?
Is CDyO4 thermodynamically stable?
What is the crystal structure of CDyO4?
What is the density of CDyO4?
How many polymorphs of CDyO4 are known?
What elements does CDyO4 contain?
Where does the data for CDyO4 come from?
How It Compares
As a unique ternary compound, CDyO4 occupies a specialized niche within inorganic chemistry. Without direct structural siblings in this specific class, it serves as a distinct example of how rare-earth elements like dysprosium can be integrated into carbon-oxygen frameworks to produce semiconducting behavior.
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)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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