Ba3V2O8
Barium orthovanadate · Barium vanadate
Barium orthovanadate is an inorganic crystalline compound composed of barium, vanadium, and oxygen. It is primarily utilized in materials science research as a host material for phosphors and as a precursor in the synthesis of specialized ceramic oxides.
Key Properties
Cross-validated computational properties for Barium orthovanadate, 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 Ba3V2O8, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 3.75 | 0.0000 | -7.904 | 5.09 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.91 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.33 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.05 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Barium orthovanadate is used.
Frequently Asked Questions
Common questions about Barium orthovanadate, answered from cross-validated data.
What is Ba3V2O8?
Barium orthovanadate is an inorganic crystalline compound composed of barium, vanadium, and oxygen. It is primarily utilized in materials science research as a host material for phosphors and as a precursor in the synthesis of specialized ceramic oxides.
What is Ba3V2O8 used for?
What is the band gap of Ba3V2O8?
Is Ba3V2O8 a metal, semiconductor, or insulator?
Is Ba3V2O8 thermodynamically stable?
What is the crystal structure of Ba3V2O8?
What is the density of Ba3V2O8?
How many polymorphs of Ba3V2O8 are known?
What elements does Ba3V2O8 contain?
Where does the data for Ba3V2O8 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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