Sr3NbCoO7
Sr3NbCoO7 is a semiconducting complex oxide that is considered a viable target for experimental synthesis due to its favorable thermodynamic stability.
About Sr3NbCoO7
Sr3NbCoO7 is a complex oxide composed of strontium, niobium, cobalt, and oxygen. Its electronic character as a semiconductor makes it an intriguing subject for investigating charge transport properties in transition metal-based systems.
As a near-hull compound, it occupies a favorable energetic position that suggests it is likely synthesizable under controlled experimental conditions. The significant number of reported structures across multiple databases highlights its importance as a focus for structural characterization and materials discovery.
Key Properties
Cross-validated computational properties for Sr3NbCoO7, 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 Sr3NbCoO7, 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. |
|---|---|---|---|---|---|
| I41cd (No. 110) | tetragonal | 0.00 | 0.0233 | -7.578 | 5.14 |
| Aea2 (No. 41) | orthorhombic | 0.58 | 0.0234 | -7.578 | 5.17 |
| P1 (No. 1) | triclinic | 0.20 | 0.0299 | -7.572 | 5.15 |
| P1 (No. 1) | triclinic | 0.00 | 0.0381 | -7.564 | 5.16 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0484 | -7.553 | 5.15 |
| Pmn21 (No. 31) | orthorhombic | 0.00 | 0.0485 | -7.553 | 5.17 |
| I4mm (No. 107) | tetragonal | 0.05 | 0.0529 | -7.549 | 5.28 |
| Pm (No. 6) | monoclinic | 0.00 | 0.0532 | -7.549 | 5.21 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.54 |
| P1 (No. 1) | Triclinic | — | — | — | 5.39 |
| P1 (No. 1) | Triclinic | — | — | — | 5.47 |
| Aea2 (No. 41) | Orthorhombic | — | — | — | 5.40 |
Applications
Where Sr3NbCoO7 is used.
Frequently Asked Questions
Common questions about Sr3NbCoO7, answered from cross-validated data.
What is Sr3NbCoO7?
Sr3NbCoO7 is a semiconducting complex oxide that is considered a viable target for experimental synthesis due to its favorable thermodynamic stability.
What is Sr3NbCoO7 used for?
What is the band gap of Sr3NbCoO7?
Is Sr3NbCoO7 a metal, semiconductor, or insulator?
Is Sr3NbCoO7 thermodynamically stable?
What is the crystal structure of Sr3NbCoO7?
What is the density of Sr3NbCoO7?
How many polymorphs of Sr3NbCoO7 are known?
What elements does Sr3NbCoO7 contain?
Where does the data for Sr3NbCoO7 come from?
How It Compares
As a unique complex oxide, Sr3NbCoO7 serves as a distinct entry point for exploring the interplay between niobium and cobalt within a strontium-rich lattice, providing a baseline for future studies into similar multicomponent oxide systems.
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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