TiTeOs
This compound is a ternary inorganic material composed of titanium, tellurium, and osmium. It is primarily studied in the field of condensed matter physics for its unique structural and electronic properties.
OsTeTi
Overview
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.
0.44 eV
Range across DFT structures
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.
0.390 eV/atom
Best (lowest) across sources
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
3 databases, 3 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.44 | 0.3896 | -30.746 | 10.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.89 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.71 |
| C2/m (No. 12) | Monoclinic | — | — | — | 10.49 |
| P-1 (No. 2) | Triclinic | — | — | — | 9.94 |
| F-43m (No. 216) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 11.92 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.67 |
Uses
Applications
Where TiTeOs is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about TiTeOs, answered from cross-validated data.
What is TiTeOs?
This compound is a ternary inorganic material composed of titanium, tellurium, and osmium. It is primarily studied in the field of condensed matter physics for its unique structural and electronic properties.
More questions
What is TiTeOs used for?
TiTeOs is used in materials science research and solid-state physics studies.
What is the band gap of TiTeOs?
TiTeOs has a DFT-computed band gap of 0.44 eV across 8 reported structures.
Is TiTeOs a metal, semiconductor, or insulator?
With a band gap up to 0.44 eV it is a semiconductor.
Is TiTeOs thermodynamically stable?
TiTeOs has a lowest energy above hull of 0.390 eV/atom (above hull).
What is the crystal structure of TiTeOs?
The lowest-energy reported polymorph of TiTeOs is cubic symmetry, space group F-43m (No. 216).
What is the density of TiTeOs?
The computed density of the ground-state structure of TiTeOs is 10.34 g/cm³.
How many polymorphs of TiTeOs are known?
8 structures of TiTeOs are reported across 3 databases, spanning 3 distinct space groups.
What elements does TiTeOs contain?
TiTeOs contains Os, Te, and Ti (3 elements).
Where does the data for TiTeOs come from?
TiTeOs data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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