Sr2CoMoO6
Strontium cobalt molybdenum oxide
This compound is a complex double perovskite oxide known for its interesting magnetic and electronic properties. It is primarily researched for its potential utility in advanced energy conversion technologies and spintronic devices.
CoMoOSr
Overview
Key Properties
Cross-validated computational properties for Sr2CoMoO6, aggregated across 2 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.
0.42–0.50 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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
2 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Sr2CoMoO6, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -7.580 | 5.50 |
| I4/mmm (No. 139) | tetragonal | 0.50 | 0.0275 | -7.553 | 5.66 |
| I4/m (No. 87) | tetragonal | 0.42 | 0.0331 | -7.547 | 5.81 |
| Fm-3m (No. 225) | — | — | — | — | — |
| I4/m (No. 87) | — | — | — | — | — |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting Sr2CoMoO6.
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Sr2CoMoO6 is used.
Solid oxide fuel cellsCatalysisSpintronics researchMagnetic sensors
Reference
Frequently Asked Questions
Common questions about Sr2CoMoO6, answered from cross-validated data.
What is Sr2CoMoO6?
This compound is a complex double perovskite oxide known for its interesting magnetic and electronic properties. It is primarily researched for its potential utility in advanced energy conversion technologies and spintronic devices.
What is Sr2CoMoO6 used for?
Sr2CoMoO6 is used in solid oxide fuel cells, catalysis, spintronics research, and magnetic sensors.
What is the band gap of Sr2CoMoO6?
Sr2CoMoO6 has a DFT-computed band gap of 0.42–0.50 eV across 5 reported structures.
Is Sr2CoMoO6 a metal, semiconductor, or insulator?
With a band gap up to 0.50 eV it is a semiconductor.
Is Sr2CoMoO6 thermodynamically stable?
Yes — Sr2CoMoO6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Sr2CoMoO6?
The lowest-energy reported polymorph of Sr2CoMoO6 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Sr2CoMoO6?
The computed density of the ground-state structure of Sr2CoMoO6 is 5.50 g/cm³.
How many polymorphs of Sr2CoMoO6 are known?
5 structures of Sr2CoMoO6 are reported across 2 databases, spanning 3 distinct space groups.
How is Sr2CoMoO6 synthesized?
Literature-reported routes for Sr2CoMoO6 include sol-gel (2 procedures documented).
What elements does Sr2CoMoO6 contain?
Sr2CoMoO6 contains Co, Mo, O, and Sr (4 elements).
Where does the data for Sr2CoMoO6 come from?
Sr2CoMoO6 data is cross-referenced from materials_project, jarvis.
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).
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