Ba4O32Se4V8
Ba4O32Se4V8 is a semiconducting quaternary compound composed of barium, oxygen, selenium, and vanadium that is predicted to be stable enough for laboratory synthesis.
About Ba4O32Se4V8
Ba4O32Se4V8 is a complex quaternary compound containing barium, oxygen, selenium, and vanadium. Its electronic character identifies it as a semiconductor, positioning it as a candidate for specialized electronic or optoelectronic applications where specific charge carrier behaviors are required. The material is characterized by a structural arrangement that balances its diverse elemental components, reflecting a sophisticated coordination environment.
From a thermodynamic perspective, this compound is considered near-hull, suggesting that it is likely synthesizable under appropriate experimental conditions. Its presence across multiple structural databases underscores its relevance in computational materials discovery, providing a foundation for further experimental investigation into its physical properties and potential utility in modern materials science.
Key Properties
Cross-validated computational properties for Ba4O32Se4V8, 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 Ba4O32Se4V8, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.09 | 0.0234 | -7.580 | 4.14 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 3.34 |
Applications
Where Ba4O32Se4V8 is used.
Frequently Asked Questions
Common questions about Ba4O32Se4V8, answered from cross-validated data.
What is Ba4O32Se4V8?
Ba4O32Se4V8 is a semiconducting quaternary compound composed of barium, oxygen, selenium, and vanadium that is predicted to be stable enough for laboratory synthesis.
What is Ba4O32Se4V8 used for?
What is the band gap of Ba4O32Se4V8?
Is Ba4O32Se4V8 a metal, semiconductor, or insulator?
Is Ba4O32Se4V8 thermodynamically stable?
What is the crystal structure of Ba4O32Se4V8?
What is the density of Ba4O32Se4V8?
How many polymorphs of Ba4O32Se4V8 are known?
What elements does Ba4O32Se4V8 contain?
Where does the data for Ba4O32Se4V8 come from?
How It Compares
As a unique quaternary system, Ba4O32Se4V8 represents a specialized niche in inorganic chemistry. Without direct structural siblings in this specific class, it stands as an independent subject of study, offering a distinct combination of chalcogenide and oxide chemistry that differentiates it from simpler binary or ternary vanadium-based insulators or conductors.
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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