O22Se4V4
O22Se4V4 is a thermodynamically stable semiconducting compound composed of oxygen, selenium, and vanadium.
About O22Se4V4
O22Se4V4 is a complex inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of oxygen, selenium, and vanadium atoms that maintains structural integrity under standard conditions.
The material is notable for its existence across multiple structural databases, highlighting its significance in solid-state chemistry. Its unique combination of chalcogen and transition metal elements suggests potential utility in specialized electronic or optoelectronic applications where stable, semiconducting oxides are required.
Key Properties
Cross-validated computational properties for O22Se4V4, 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 O22Se4V4, 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/c (No. 15) | monoclinic | 2.18 | 0.0000 | -6.882 | 3.74 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 3.41 |
Applications
Where O22Se4V4 is used.
Frequently Asked Questions
Common questions about O22Se4V4, answered from cross-validated data.
What is O22Se4V4?
O22Se4V4 is a thermodynamically stable semiconducting compound composed of oxygen, selenium, and vanadium.
What is O22Se4V4 used for?
What is the band gap of O22Se4V4?
Is O22Se4V4 a metal, semiconductor, or insulator?
Is O22Se4V4 thermodynamically stable?
What is the crystal structure of O22Se4V4?
What is the density of O22Se4V4?
How many polymorphs of O22Se4V4 are known?
What elements does O22Se4V4 contain?
Where does the data for O22Se4V4 come from?
How It Compares
As a unique inorganic phase, O22Se4V4 serves as a distinct example of complex vanadium-selenium-oxygen chemistry. Without direct structural siblings in this specific compositional space, it stands as a primary reference point for researchers investigating the interplay between transition metal oxides and chalcogenides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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