O8SbTlV2
O8SbTlV2 is a stable, semiconducting quaternary oxide composed of oxygen, antimony, thallium, and vanadium.
About O8SbTlV2
O8SbTlV2 is a complex oxide featuring a combination of antimony, thallium, and vanadium. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration within its chemical system.
This material exhibits semiconducting electronic character, making it a subject of interest for researchers exploring electronic and optical properties in multi-component oxides. Its specific atomic arrangement provides a stable framework for investigating complex solid-state chemistry.
Key Properties
Cross-validated computational properties for O8SbTlV2, 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 O8SbTlV2. 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 O8SbTlV2, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 2.77 | 0.0000 | -7.428 | 4.95 |
| — | — | — | — | — | 1.86 |
| No. 0 | unknown | — | — | — | 1.31 |
Frequently Asked Questions
Common questions about O8SbTlV2, answered from cross-validated data.
What is O8SbTlV2?
O8SbTlV2 is a stable, semiconducting quaternary oxide composed of oxygen, antimony, thallium, and vanadium.
What is the band gap of O8SbTlV2?
Is O8SbTlV2 a metal, semiconductor, or insulator?
Is O8SbTlV2 thermodynamically stable?
What is the crystal structure of O8SbTlV2?
What is the density of O8SbTlV2?
How many polymorphs of O8SbTlV2 are known?
What elements does O8SbTlV2 contain?
Where does the data for O8SbTlV2 come from?
How It Compares
As a unique multi-element oxide, O8SbTlV2 serves as a foundational example of how integrating heavy metals like thallium and antimony with vanadium can result in a thermodynamically stable semiconducting phase.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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