Sr2CaWO6
Sr2CaWO6 is a thermodynamically stable, wide-gap insulating oxide composed of strontium, calcium, and tungsten.
About Sr2CaWO6
Sr2CaWO6 is a complex oxide featuring a stable arrangement of strontium, calcium, and tungsten within its lattice. As a wide-gap insulator, it exhibits robust electronic properties that make it a subject of interest for researchers investigating stable dielectric or luminescent host materials. Its position on the convex hull confirms its thermodynamic stability, suggesting it can be reliably synthesized and utilized in demanding environments. The compound has been extensively characterized across multiple structural databases, highlighting its significance in solid-state chemistry.
Key Properties
Cross-validated computational properties for Sr2CaWO6, 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 Sr2CaWO6. 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 Sr2CaWO6, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.54 | 0.0000 | -7.853 | 5.71 |
| — | — | 3.29 | 0.0000 | -3.058 | — |
| — | — | 3.26 | 0.0090 | -3.049 | — |
| — | — | 3.26 | 0.0117 | -3.046 | — |
| Fm-3m (No. 225) | cubic | 2.79 | 0.0142 | -3.036 | — |
| I4/m (No. 87) | tetragonal | 3.46 | 0.0208 | -7.832 | 5.72 |
| — | — | 3.27 | 0.0250 | -3.033 | — |
| — | — | 2.91 | 0.0683 | -2.990 | — |
| Pmmn (No. 59) | orthorhombic | 3.27 | 0.0684 | -7.784 | 5.51 |
| — | — | 2.92 | 0.0724 | -2.986 | — |
| Pmm2 (No. 25) | orthorhombic | 3.16 | 0.0729 | -7.780 | 5.57 |
| Fm-3m (No. 225) | cubic | 3.23 | 0.0730 | -7.780 | 5.60 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Sr2CaWO6.
Applications
Where Sr2CaWO6 is used.
Frequently Asked Questions
Common questions about Sr2CaWO6, answered from cross-validated data.
What is Sr2CaWO6?
Sr2CaWO6 is a thermodynamically stable, wide-gap insulating oxide composed of strontium, calcium, and tungsten.
What is Sr2CaWO6 used for?
What is the band gap of Sr2CaWO6?
Is Sr2CaWO6 a metal, semiconductor, or insulator?
Is Sr2CaWO6 thermodynamically stable?
What is the crystal structure of Sr2CaWO6?
What is the density of Sr2CaWO6?
How many polymorphs of Sr2CaWO6 are known?
How is Sr2CaWO6 synthesized?
What elements does Sr2CaWO6 contain?
Where does the data for Sr2CaWO6 come from?
How It Compares
As a distinct member of the complex oxide family, Sr2CaWO6 serves as a stable structural archetype. Without direct structural siblings for comparison, it stands as a baseline for understanding how the integration of alkaline earth metals with tungsten oxides influences overall material stability and electronic performance.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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