SrTe3O8
SrTe3O8 is a semiconducting strontium tellurite oxide that is theoretically stable enough to be a target for experimental synthesis.
About SrTe3O8
SrTe3O8 is a strontium tellurite compound that exhibits semiconducting electronic behavior. Its structural complexity is highlighted by multiple reported configurations, reflecting the versatile coordination chemistry inherent to tellurium-based oxide systems.
As a near-hull material, this compound is considered a promising candidate for experimental synthesis. Its stability profile suggests it could serve as a foundational building block for specialized oxide materials requiring specific electronic properties.
Key Properties
Cross-validated computational properties for SrTe3O8, 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 SrTe3O8. 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 SrTe3O8, 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. |
|---|---|---|---|---|---|
| P42/m (No. 84) | tetragonal | 2.35 | 0.0000 | -1.555 | — |
| — | — | 2.57 | 0.0027 | -1.691 | — |
| — | — | 2.56 | 0.0033 | -1.691 | — |
| P42/m (No. 84) | tetragonal | 2.19 | 0.0053 | -6.104 | 6.25 |
| P42/m (No. 84) | tetragonal | — | — | — | 6.30 |
| P42/m (No. 84) | tetragonal | — | — | — | 6.47 |
| P42/m (No. 84) | tetragonal | — | — | — | 6.17 |
| P42/m (No. 84) | tetragonal | — | — | — | 5.97 |
Applications
Where SrTe3O8 is used.
Frequently Asked Questions
Common questions about SrTe3O8, answered from cross-validated data.
What is SrTe3O8?
SrTe3O8 is a semiconducting strontium tellurite oxide that is theoretically stable enough to be a target for experimental synthesis.
What is SrTe3O8 used for?
What is the band gap of SrTe3O8?
Is SrTe3O8 a metal, semiconductor, or insulator?
Is SrTe3O8 thermodynamically stable?
What is the crystal structure of SrTe3O8?
How many polymorphs of SrTe3O8 are known?
What elements does SrTe3O8 contain?
Where does the data for SrTe3O8 come from?
How It Compares
As a unique strontium tellurite, SrTe3O8 occupies a distinct niche in the landscape of complex tellurite oxides, where its semiconducting nature and structural stability make it an intriguing subject for further investigation into its physical properties.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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