SrUO4
SrUO4 is a thermodynamically stable semiconducting ternary oxide containing strontium and uranium.
About SrUO4
SrUO4 is a semiconducting oxide composed of strontium, uranium, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within its chemical system, making it a significant subject for structural analysis and materials characterization. The existence of numerous reported structures across multiple databases highlights its importance in solid-state chemistry and materials science research. Its electronic character suggests potential utility in specialized functional applications where semiconducting behavior is required. By maintaining structural integrity under standard conditions, this compound serves as a reliable model for studying uranium-based ternary oxides and their complex bonding environments.
Key Properties
Cross-validated computational properties for SrUO4, 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 SrUO4. 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 SrUO4, 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. |
|---|---|---|---|---|---|
| — | — | 3.25 | 0.0000 | -3.315 | — |
| R-3m (No. 166) | trigonal | 2.18 | 0.0000 | -3.466 | — |
| R-3m (No. 166) | trigonal | 1.93 | 0.0000 | -9.153 | 7.86 |
| — | — | 2.89 | 0.0056 | -3.310 | — |
| Pbcm (No. 57) | orthorhombic | 2.08 | 0.0215 | -9.132 | 7.22 |
| R-3m (No. 166) | trigonal | 1.83 | 0.1145 | -9.039 | 7.65 |
| C2/m (No. 12) | monoclinic | 0.76 | 0.3017 | -8.852 | 8.37 |
| Pbcm (No. 57) | orthorhombic | — | — | — | 7.03 |
| Pbcm (No. 57) | orthorhombic | — | — | — | 7.41 |
| R-3m (No. 166) | trigonal | — | — | — | 8.09 |
| R-3m (No. 166) | trigonal | — | — | — | 7.65 |
| Pbcm (No. 57) | orthorhombic | — | — | — | 7.16 |
Synthesis Routes
Literature-extracted synthesis procedures targeting SrUO4.
Applications
Where SrUO4 is used.
Frequently Asked Questions
Common questions about SrUO4, answered from cross-validated data.
What is SrUO4?
SrUO4 is a thermodynamically stable semiconducting ternary oxide containing strontium and uranium.
What is SrUO4 used for?
What is the band gap of SrUO4?
Is SrUO4 a metal, semiconductor, or insulator?
Is SrUO4 thermodynamically stable?
What is the crystal structure of SrUO4?
How many polymorphs of SrUO4 are known?
How is SrUO4 synthesized?
What elements does SrUO4 contain?
Where does the data for SrUO4 come from?
How It Compares
As a thermodynamically stable member of the uranium-based oxide family, SrUO4 serves as a foundational reference point for understanding the structural and electronic diversity of similar ternary systems. It occupies a unique position in the landscape of uranium compounds, providing critical insights into how alkaline earth metals influence the stability and semiconducting properties of these heavy-metal oxides.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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