O28V8Zr4
O28V8Zr4 is a thermodynamically stable semiconducting oxide containing vanadium and zirconium that exhibits multiple structural configurations.
About O28V8Zr4
O28V8Zr4 is a complex oxide composed of vanadium and zirconium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement that is well-supported by multiple reported experimental and computational entries. Its electronic character is defined as semiconducting, making it an intriguing candidate for electronic and optoelectronic research.
The material is characterized by a significant degree of structural diversity, with multiple reported configurations across major materials databases. This richness suggests that O28V8Zr4 possesses a flexible lattice capable of adopting various symmetries, which is a critical factor for understanding its potential integration into functional devices.
Key Properties
Cross-validated computational properties for O28V8Zr4, 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 O28V8Zr4, 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. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 2.59 | 0.0000 | -8.952 | 2.84 |
| — | — | — | — | — | 2.73 |
| Pa-3 (No. 205) | — | — | — | — | — |
| Pa-3 (No. 205) | — | — | — | — | — |
| Pa-3 (No. 205) | — | — | — | — | — |
| Pa-3 (No. 205) | — | — | — | — | — |
| — | — | — | — | — | 2.73 |
Applications
Where O28V8Zr4 is used.
Frequently Asked Questions
Common questions about O28V8Zr4, answered from cross-validated data.
What is O28V8Zr4?
O28V8Zr4 is a thermodynamically stable semiconducting oxide containing vanadium and zirconium that exhibits multiple structural configurations.
What is O28V8Zr4 used for?
What is the band gap of O28V8Zr4?
Is O28V8Zr4 a metal, semiconductor, or insulator?
Is O28V8Zr4 thermodynamically stable?
What is the crystal structure of O28V8Zr4?
What is the density of O28V8Zr4?
How many polymorphs of O28V8Zr4 are known?
What elements does O28V8Zr4 contain?
Where does the data for O28V8Zr4 come from?
How It Compares
As a unique oxide phase, O28V8Zr4 stands out for its inherent thermodynamic stability and semiconducting nature. Unlike many complex multi-metal oxides that require specific synthesis conditions to remain phase-pure, this compound occupies a favorable position on the convex hull, marking it as a highly reliable subject for fundamental studies in solid-state chemistry.
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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