SrAuO2
SrAuO2 is a thermodynamically stable semiconducting oxide composed of strontium, gold, and oxygen.
About SrAuO2
SrAuO2 is a semiconducting oxide that occupies a stable position on the thermodynamic convex hull. Its existence as a well-defined phase suggests robust structural integrity, making it a subject of interest for researchers investigating the intersection of noble metal chemistry and oxide semiconductors.
Because it maintains stability, this compound serves as a reliable candidate for fundamental studies in materials science. Its electronic character positions it within the broader landscape of functional oxides, where it is evaluated for its unique chemical bonding and potential for specialized electronic applications.
Key Properties
Cross-validated computational properties for SrAuO2, 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 SrAuO2. 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 SrAuO2, 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 | 1.44 | 0.0318 | -5.579 | 8.02 |
| C2/m (No. 12) | monoclinic | 1.61 | 0.0375 | -1.728 | — |
| — | — | 0.00 | 0.2423 | -1.514 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 8.49 |
| C2/m (No. 12) | monoclinic | — | — | — | 8.02 |
| C2/m (No. 12) | monoclinic | — | — | — | 8.27 |
Applications
Where SrAuO2 is used.
Frequently Asked Questions
Common questions about SrAuO2, answered from cross-validated data.
What is SrAuO2?
SrAuO2 is a thermodynamically stable semiconducting oxide composed of strontium, gold, and oxygen.
What is SrAuO2 used for?
What is the band gap of SrAuO2?
Is SrAuO2 a metal, semiconductor, or insulator?
Is SrAuO2 thermodynamically stable?
What is the crystal structure of SrAuO2?
What is the density of SrAuO2?
How many polymorphs of SrAuO2 are known?
What elements does SrAuO2 contain?
Where does the data for SrAuO2 come from?
How It Compares
As a distinct oxide phase, SrAuO2 represents a unique structural arrangement within the landscape of strontium-gold-oxygen materials. It stands as a stable, well-characterized compound that provides a foundational reference point for exploring the electronic properties of complex ternary oxides containing noble metals.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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