SrMoO4
strontium molybdate
Strontium molybdate is a stable, insulating oxide material used in various research and industrial applications requiring robust dielectric properties.
About strontium molybdate
Strontium molybdate is a thermodynamically stable oxide characterized by a wide electronic band gap, which renders it an effective insulator. Its structural integrity and chemical robustness make it a subject of significant interest in materials science research. The compound exhibits a high degree of structural diversity, as evidenced by its presence in multiple crystallographic databases. This versatility allows it to serve as a foundational material for various functional applications, particularly in fields requiring stable dielectric or optical properties.
Key Properties
Cross-validated computational properties for strontium molybdate, 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 SrMoO4. 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 SrMoO4, 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 | 3.84 | 0.0000 | -8.053 | 4.69 |
| — | — | 3.73 | 0.0000 | -2.806 | — |
| I41/a (No. 88) | tetragonal | 3.70 | 0.0000 | -2.791 | — |
| C2/c (No. 15) | monoclinic | 3.75 | 0.0009 | -8.052 | 4.48 |
| — | — | 3.62 | 0.0010 | -2.805 | — |
| — | — | 4.04 | 0.0483 | -2.757 | — |
| — | — | 3.52 | 0.0496 | -2.756 | — |
| — | — | 3.73 | 0.0501 | -2.756 | — |
| — | — | 4.00 | 0.1048 | -2.701 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 4.62 |
| I41/a (No. 88) | tetragonal | — | — | — | 4.70 |
| I41/a (No. 88) | tetragonal | — | — | — | 4.68 |
Synthesis Routes
Literature-extracted synthesis procedures targeting SrMoO4.
Applications
Where strontium molybdate is used.
Frequently Asked Questions
Common questions about strontium molybdate, answered from cross-validated data.
What is SrMoO4?
Strontium molybdate is a stable, insulating oxide material used in various research and industrial applications requiring robust dielectric properties.
What is SrMoO4 used for?
What is the band gap of SrMoO4?
Is SrMoO4 a metal, semiconductor, or insulator?
Is SrMoO4 thermodynamically stable?
What is the crystal structure of SrMoO4?
What is the density of SrMoO4?
How many polymorphs of SrMoO4 are known?
How is SrMoO4 synthesized?
What elements does SrMoO4 contain?
Where does the data for SrMoO4 come from?
How It Compares
As a stable member of the molybdate family, strontium molybdate serves as a primary example of how alkaline earth metals can be integrated into complex oxide frameworks to achieve insulating behavior. It represents a baseline for structural stability within this class of materials, providing a reliable platform for studying the influence of the strontium cation on the overall lattice configuration.
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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