Ba6O18W4
Barium tungstate · Barium orthotungstate
Barium tungstate is an inorganic crystalline compound composed of barium, tungsten, and oxygen. It is primarily utilized in advanced optical technologies due to its specific light-scattering properties.
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Overview
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.
3.68 eV
Range across DFT structures
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.
0.005 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Ba6O18W4, 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-3c (No. 167) | trigonal | 3.68 | 0.0047 | -8.248 | 7.28 |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| — | — | — | — | — | 6.97 |
Uses
Applications
Where Barium tungstate is used.
Raman lasersSolid-state lightingScintillation detectorsOptical materials
Reference
Frequently Asked Questions
Common questions about Barium tungstate, answered from cross-validated data.
What is Ba6O18W4?
Barium tungstate is an inorganic crystalline compound composed of barium, tungsten, and oxygen. It is primarily utilized in advanced optical technologies due to its specific light-scattering properties.
More questions
What is Ba6O18W4 used for?
Barium tungstate (Ba6O18W4) is used in raman lasers, solid-state lighting, scintillation detectors, and optical materials.
What is the band gap of Ba6O18W4?
Barium tungstate (Ba6O18W4) has a DFT-computed band gap of 3.68 eV across 5 reported structures.
Is Ba6O18W4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.68 eV it is an insulator / wide-band-gap material.
Is Ba6O18W4 thermodynamically stable?
Barium tungstate (Ba6O18W4) has a lowest energy above hull of 0.005 eV/atom (near hull (likely stable)).
What is the crystal structure of Ba6O18W4?
The lowest-energy reported polymorph of Barium tungstate (Ba6O18W4) is trigonal symmetry, space group R-3c (No. 167).
What is the density of Ba6O18W4?
The computed density of the ground-state structure of Barium tungstate (Ba6O18W4) is 7.28 g/cm³.
How many polymorphs of Ba6O18W4 are known?
5 structures of Ba6O18W4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ba6O18W4 contain?
Barium tungstate (Ba6O18W4) contains Ba, O, and W (3 elements).
Where does the data for Ba6O18W4 come from?
Ba6O18W4 data is cross-referenced from materials_project, aflow, omat24.
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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