BaWO4
Barium tungstate · Barium wolframate
Barium tungstate is a stable, insulating crystalline compound widely utilized for its optical properties in high-tech sensing and lighting applications.
About Barium tungstate
Barium tungstate is a chemically stable inorganic compound that exists on the thermodynamic convex hull, indicating high structural integrity. As a wide-band-gap insulator, it possesses electronic properties that make it highly suitable for specialized optical and photonic technologies.
This material is recognized for its structural versatility, with numerous reported crystalline arrangements across scientific databases. Its stability and predictable electronic behavior ensure it remains a reliable candidate for high-performance device engineering.
Key Properties
Cross-validated computational properties for Barium tungstate, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BaWO4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for BaWO4, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 4.88 | 0.0000 | -8.507 | 6.25 |
| — | — | 4.81 | 0.0000 | -2.920 | — |
| I41/a (No. 88) | tetragonal | 1.66 | 0.0000 | -2.829 | — |
| C2/c (No. 15) | monoclinic | 4.77 | 0.0029 | -8.504 | 6.09 |
| — | — | 4.83 | 0.0053 | -2.915 | — |
| — | — | 4.72 | 0.0064 | -2.914 | — |
| P21/c (No. 14) | monoclinic | 3.55 | 0.0100 | -8.497 | 6.83 |
| Cmc21 (No. 36) | orthorhombic | 2.18 | 0.0154 | -2.813 | — |
| I41 (No. 80) | tetragonal | 4.87 | 0.0192 | -8.488 | 6.02 |
| I41/amd (No. 141) | tetragonal | 4.71 | 0.0210 | -8.486 | 5.26 |
| P21/m (No. 11) | monoclinic | 2.35 | 0.0519 | -8.455 | 6.81 |
| Cmcm (No. 63) | orthorhombic | 2.08 | 0.0571 | -8.450 | 7.02 |
Synthesis Routes
Literature-extracted synthesis procedures targeting BaWO4.
Applications
Where Barium tungstate is used.
Frequently Asked Questions
Common questions about Barium tungstate, answered from cross-validated data.
What is BaWO4?
Barium tungstate is a stable, insulating crystalline compound widely utilized for its optical properties in high-tech sensing and lighting applications.
What is BaWO4 used for?
What is the band gap of BaWO4?
Is BaWO4 a metal, semiconductor, or insulator?
Is BaWO4 thermodynamically stable?
What is the crystal structure of BaWO4?
What is the density of BaWO4?
How many polymorphs of BaWO4 are known?
How is BaWO4 synthesized?
What elements does BaWO4 contain?
Where does the data for BaWO4 come from?
How It Compares
As a standalone representative of its chemical family, barium tungstate serves as a benchmark for stability and insulating performance. It occupies a critical role in materials research where robust, wide-gap inorganic hosts are required for functional applications.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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