SrTeO3
SrTeO3 is a thermodynamically stable, insulating tellurite compound characterized by its robust structural profile.
About SrTeO3
SrTeO3 is a thermodynamically stable inorganic compound that exists on the convex hull, indicating significant structural robustness. As a wide-gap insulating material, it possesses electronic properties characteristic of stable oxides that do not readily conduct electricity under standard conditions.
Its structural diversity is evidenced by its presence across multiple material databases, reflecting a complex landscape of possible configurations. This stability makes it a subject of interest for researchers investigating the fundamental properties of strontium-based tellurites in various solid-state applications.
Key Properties
Cross-validated computational properties for SrTeO3, 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 SrTeO3. 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 SrTeO3, 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. |
|---|---|---|---|---|---|
| — | — | 3.79 | 0.0000 | -2.210 | — |
| P21/c (No. 14) | monoclinic | 3.75 | 0.0000 | -2.118 | — |
| P21/c (No. 14) | monoclinic | 3.61 | 0.0000 | -6.317 | 5.10 |
| C2 (No. 5) | monoclinic | 3.47 | 0.0024 | -6.315 | 4.86 |
| P1 (No. 1) | triclinic | 3.23 | 0.0032 | -6.314 | 4.62 |
| — | — | 3.81 | 0.0038 | -2.206 | — |
| C2/c (No. 15) | monoclinic | 3.37 | 0.0043 | -6.313 | 4.64 |
| — | — | 2.94 | 0.0050 | -2.205 | — |
| Cc (No. 9) | monoclinic | 3.46 | 0.0062 | -6.311 | 4.63 |
| P-1 (No. 2) | triclinic | 3.42 | 0.0066 | -6.310 | 4.64 |
| — | — | 3.49 | 0.0104 | -2.200 | — |
| P1 (No. 1) | triclinic | 3.17 | 0.0209 | -2.097 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting SrTeO3.
Frequently Asked Questions
Common questions about SrTeO3, answered from cross-validated data.
What is SrTeO3?
SrTeO3 is a thermodynamically stable, insulating tellurite compound characterized by its robust structural profile.
What is the band gap of SrTeO3?
Is SrTeO3 a metal, semiconductor, or insulator?
Is SrTeO3 thermodynamically stable?
What is the crystal structure of SrTeO3?
What is the density of SrTeO3?
How many polymorphs of SrTeO3 are known?
How is SrTeO3 synthesized?
What elements does SrTeO3 contain?
Where does the data for SrTeO3 come from?
How It Compares
As a stable member of the tellurite family, SrTeO3 represents a well-defined crystalline phase that serves as a baseline for understanding strontium-tellurium-oxygen interactions. Without other direct siblings in this specific class for comparison, it stands as a primary example of how alkaline earth metals stabilize the tellurite framework.
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)
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