SrTeO4
SrTeO4 is a stable, semiconducting strontium tellurate compound characterized by its structural versatility.
About SrTeO4
SrTeO4 is a thermodynamically stable compound within the tellurate family. As a member of this group, it occupies a position on the convex hull, indicating robust structural integrity under standard conditions.
Exhibiting semiconducting electronic character, this material is of significant interest for researchers investigating complex oxides. Its structural diversity, evidenced by multiple reported configurations, makes it a compelling subject for studies in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for SrTeO4, 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 SrTeO4. 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 SrTeO4, 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. |
|---|---|---|---|---|---|
| — | — | 2.50 | 0.0000 | -2.088 | — |
| Pbcn (No. 60) | orthorhombic | 2.32 | 0.0000 | -1.927 | — |
| Pbcn (No. 60) | orthorhombic | 2.25 | 0.0000 | -6.378 | 5.02 |
| — | — | 2.47 | 0.0671 | -2.021 | — |
| — | — | 2.47 | 0.0721 | -2.016 | — |
| Pbcn (No. 60) | orthorhombic | — | — | — | 5.02 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 4.98 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 5.22 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 4.83 |
Applications
Where SrTeO4 is used.
Frequently Asked Questions
Common questions about SrTeO4, answered from cross-validated data.
What is SrTeO4?
SrTeO4 is a stable, semiconducting strontium tellurate compound characterized by its structural versatility.
What is SrTeO4 used for?
What is the band gap of SrTeO4?
Is SrTeO4 a metal, semiconductor, or insulator?
Is SrTeO4 thermodynamically stable?
What is the crystal structure of SrTeO4?
How many polymorphs of SrTeO4 are known?
What elements does SrTeO4 contain?
Where does the data for SrTeO4 come from?
How It Compares
As a stable tellurate, SrTeO4 represents a well-defined crystalline phase that serves as a benchmark for understanding the structural and electronic behavior of strontium-based tellurium 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)
- 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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