Ba2O30V20
Ba2O30V20 is a thermodynamically stable semiconducting oxide of barium and vanadium.
About Ba2O30V20
Ba2O30V20 is a complex oxide composed of barium, oxygen, and vanadium. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within the chemical space of these elements, characterized by a semiconducting electronic nature.
The compound is recognized for its structural diversity, with multiple reported configurations across materials databases. Its electronic properties and stability make it an intriguing subject for fundamental research into vanadium-based inorganic frameworks.
Key Properties
Cross-validated computational properties for Ba2O30V20, 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 Ba2O30V20, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 0.86 | 0.0000 | -8.944 | 5.32 |
| Cmce (No. 64) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 4.07 |
Frequently Asked Questions
Common questions about Ba2O30V20, answered from cross-validated data.
What is Ba2O30V20?
Ba2O30V20 is a thermodynamically stable semiconducting oxide of barium and vanadium.
What is the band gap of Ba2O30V20?
Is Ba2O30V20 a metal, semiconductor, or insulator?
Is Ba2O30V20 thermodynamically stable?
What is the crystal structure of Ba2O30V20?
What is the density of Ba2O30V20?
How many polymorphs of Ba2O30V20 are known?
What elements does Ba2O30V20 contain?
Where does the data for Ba2O30V20 come from?
How It Compares
As a distinct inorganic phase, Ba2O30V20 serves as a notable example of the complex structural landscape possible within the barium-vanadium-oxygen system, representing a stable endpoint for researchers investigating the interplay between transition metal oxidation states and alkaline earth metal coordination.
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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