V2CdO6
This compound is a complex oxide containing vanadium and cadmium. It is primarily studied in materials science research for its potential electronic and structural properties in solid-state chemistry.
Overview
Key Properties
Cross-validated computational properties for V2CdO6, 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.
2.26–2.64 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for V2CdO6, 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 | 2.26 | 0.0000 | -7.605 | 4.80 |
| C2/m (No. 12) | monoclinic | 2.64 | 0.0022 | -7.603 | 4.20 |
| Pbcn (No. 60) | orthorhombic | 2.28 | 0.0448 | -7.560 | 4.92 |
| Pbcn (No. 60) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.97 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.35 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.07 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.55 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.00 |
Uses
Applications
Where V2CdO6 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about V2CdO6, answered from cross-validated data.
What is V2CdO6?
This compound is a complex oxide containing vanadium and cadmium. It is primarily studied in materials science research for its potential electronic and structural properties in solid-state chemistry.
More questions
What is V2CdO6 used for?
V2CdO6 is used in materials science research and solid-state chemistry studies.
What is the band gap of V2CdO6?
V2CdO6 has a DFT-computed band gap of 2.26–2.64 eV across 13 reported structures.
Is V2CdO6 a metal, semiconductor, or insulator?
With a band gap up to 2.64 eV it is a semiconductor.
Is V2CdO6 thermodynamically stable?
Yes — V2CdO6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of V2CdO6?
The lowest-energy reported polymorph of V2CdO6 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of V2CdO6?
The computed density of the ground-state structure of V2CdO6 is 4.80 g/cm³.
How many polymorphs of V2CdO6 are known?
13 structures of V2CdO6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does V2CdO6 contain?
V2CdO6 contains Cd, O, and V (3 elements).
Where does the data for V2CdO6 come from?
V2CdO6 data is cross-referenced from materials_project, jarvis, mpaloe.
Explore
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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