Ba2Ca1O6W1
Ba2Ca1O6W1 is a stable, insulating complex oxide composed of barium, calcium, tungsten, and oxygen.
About Ba2Ca1O6W1
Ba2Ca1O6W1 is a complex oxide characterized by its wide-band-gap insulating electronic profile. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within the barium-calcium-tungsten-oxygen system.
This material is of significant interest in solid-state chemistry due to its structural diversity, with numerous reported configurations across databases. Its stability and insulating nature make it a candidate for research into advanced dielectric or ceramic applications where electronic isolation is required.
Key Properties
Cross-validated computational properties for Ba2Ca1O6W1, aggregated across 2 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 Ba2Ca1O6W1, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 3.29 | 0.0000 | -7.882 | 6.38 |
| I4/m (No. 87) | tetragonal | 3.19 | 0.0025 | -7.879 | 6.37 |
| Fm-3m (No. 225) | cubic | 3.18 | 0.0030 | -7.879 | 6.38 |
| Pn-3 (No. 201) | cubic | 3.19 | 0.0050 | -7.877 | 6.36 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I4/m (No. 87) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I4/m (No. 87) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I4/m (No. 87) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Ba2Ca1O6W1 is used.
Frequently Asked Questions
Common questions about Ba2Ca1O6W1, answered from cross-validated data.
What is Ba2Ca1O6W1?
Ba2Ca1O6W1 is a stable, insulating complex oxide composed of barium, calcium, tungsten, and oxygen.
What is Ba2Ca1O6W1 used for?
What is the band gap of Ba2Ca1O6W1?
Is Ba2Ca1O6W1 a metal, semiconductor, or insulator?
Is Ba2Ca1O6W1 thermodynamically stable?
What is the crystal structure of Ba2Ca1O6W1?
What is the density of Ba2Ca1O6W1?
How many polymorphs of Ba2Ca1O6W1 are known?
What elements does Ba2Ca1O6W1 contain?
Where does the data for Ba2Ca1O6W1 come from?
How It Compares
As a thermodynamically stable oxide, Ba2Ca1O6W1 serves as a foundational reference point for complex quaternary tungstates, demonstrating high structural integrity compared to less stable or metastable phases within the broader family of alkaline-earth metal tungstates.
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).
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