TiTeOs
TiTeOs is a semiconducting ternary compound consisting of titanium, tellurium, and osmium that exhibits multiple structural variations.
About TiTeOs
TiTeOs is a complex ternary compound composed of titanium, tellurium, and osmium. As a semiconducting material, it represents a niche area of inorganic chemistry where transition metals and chalcogens combine into diverse structural arrangements.
Despite the existence of multiple reported structures across various databases, this compound is characterized by its position above the thermodynamic hull. This suggests that it may be inherently unstable under standard conditions, marking it as a subject of interest for fundamental materials research.
Key Properties
Cross-validated computational properties for TiTeOs, 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 TiTeOs. 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 TiTeOs, 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. |
|---|---|---|---|---|---|
| — | — | 0.60 | 0.2467 | -0.353 | — |
| F-43m (No. 216) | cubic | 0.42 | 0.2923 | -0.326 | — |
| F-43m (No. 216) | cubic | 0.44 | 0.3896 | -30.746 | 10.34 |
| — | — | 0.00 | 0.7683 | 0.169 | — |
| — | — | 0.00 | 1.0608 | 0.461 | — |
| P-1 (No. 2) | triclinic | — | — | — | 8.71 |
| P-1 (No. 2) | triclinic | — | — | — | 11.89 |
| P-1 (No. 2) | triclinic | — | — | — | 9.94 |
| P-1 (No. 2) | triclinic | — | — | — | 11.92 |
| P-1 (No. 2) | triclinic | — | — | — | 7.67 |
| C2/m (No. 12) | monoclinic | — | — | — | 10.49 |
Frequently Asked Questions
Common questions about TiTeOs, answered from cross-validated data.
What is TiTeOs?
TiTeOs is a semiconducting ternary compound consisting of titanium, tellurium, and osmium that exhibits multiple structural variations.
What is the band gap of TiTeOs?
Is TiTeOs a metal, semiconductor, or insulator?
Is TiTeOs thermodynamically stable?
What is the crystal structure of TiTeOs?
How many polymorphs of TiTeOs are known?
What elements does TiTeOs contain?
Where does the data for TiTeOs come from?
How It Compares
As a unique ternary phase, TiTeOs occupies a distinct position in materials science where its electronic properties are defined by the interplay of its three constituent elements. Without direct structural siblings in this specific class, it serves as a primary example of the challenges and opportunities in synthesizing complex, potentially metastable chalcogenide-based systems.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze TiTeOs in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →