NbTlO3
NbTlO3 is a thermodynamically stable semiconducting oxide composed of niobium, thallium, and oxygen.
About NbTlO3
NbTlO3 is a complex oxide featuring niobium and thallium, characterized by its semiconducting electronic nature. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration that is of significant interest for fundamental materials research.
With multiple reported structures documented across various databases, this compound demonstrates structural versatility. Its stability and electronic properties make it a compelling subject for those investigating the intersection of transition metal oxides and heavy metal chemistry.
Key Properties
Cross-validated computational properties for NbTlO3, 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.
Reported Structures
Lowest-energy structures reported for NbTlO3, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.96 | 0.0000 | -7.916 | 7.37 |
| Cc (No. 9) | monoclinic | 0.95 | 0.0014 | -7.915 | 7.37 |
| Pm-3m (No. 221) | cubic | 0.11 | 0.0907 | -7.826 | 8.27 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 8.27 |
| Pm-3m (No. 221) | Cubic | — | — | — | 8.68 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 8.44 |
Applications
Where NbTlO3 is used.
Frequently Asked Questions
Common questions about NbTlO3, answered from cross-validated data.
What is NbTlO3?
NbTlO3 is a thermodynamically stable semiconducting oxide composed of niobium, thallium, and oxygen.
What is NbTlO3 used for?
What is the band gap of NbTlO3?
Is NbTlO3 a metal, semiconductor, or insulator?
Is NbTlO3 thermodynamically stable?
What is the crystal structure of NbTlO3?
What is the density of NbTlO3?
How many polymorphs of NbTlO3 are known?
What elements does NbTlO3 contain?
Where does the data for NbTlO3 come from?
How It Compares
As a unique inorganic oxide, NbTlO3 serves as a distinct example of stable ternary phase formation. Without direct structural siblings in this specific dataset, it stands as a primary reference point for studying the interplay between niobium-oxygen frameworks and thallium cations in semiconducting systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze NbTlO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →