Ba4Ca4O28V8
Ba4Ca4O28V8 is a stable, insulating quaternary oxide containing barium, calcium, vanadium, and oxygen.
About Ba4Ca4O28V8
Ba4Ca4O28V8 is a complex oxide composed of barium, calcium, oxygen, and vanadium. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement that is of significant interest for fundamental materials science studies.
Characterized as a wide-gap insulator, this compound exhibits electronic properties typical of stable dielectric oxides. Its structural integrity and distinct elemental composition make it a valuable subject for investigating the interplay between alkaline earth metals and vanadium-oxygen frameworks.
Key Properties
Cross-validated computational properties for Ba4Ca4O28V8, 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 Ba4Ca4O28V8, 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 | 3.27 | 0.0001 | -8.072 | 3.70 |
| — | — | — | — | — | 3.52 |
| Pnma (No. 62) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ba4Ca4O28V8, answered from cross-validated data.
What is Ba4Ca4O28V8?
Ba4Ca4O28V8 is a stable, insulating quaternary oxide containing barium, calcium, vanadium, and oxygen.
What is the band gap of Ba4Ca4O28V8?
Is Ba4Ca4O28V8 a metal, semiconductor, or insulator?
Is Ba4Ca4O28V8 thermodynamically stable?
What is the crystal structure of Ba4Ca4O28V8?
What is the density of Ba4Ca4O28V8?
How many polymorphs of Ba4Ca4O28V8 are known?
What elements does Ba4Ca4O28V8 contain?
Where does the data for Ba4Ca4O28V8 come from?
How It Compares
As a unique oxide phase, Ba4Ca4O28V8 serves as a distinct example of complex quaternary systems within the broader landscape of insulating vanadium-based materials, offering a stable structural template for exploring oxide 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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