Sr2NiMoO6
Sr2NiMoO6 is a thermodynamically stable, semiconducting double perovskite oxide used in advanced materials research.
About Sr2NiMoO6
Sr2NiMoO6 is a complex oxide characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline structure that maintains integrity under standard conditions.
This material is of significant interest in materials science due to the interplay between its transition metal components and oxygen framework. Its stability makes it a reliable candidate for research into functional oxides and potential solid-state electronic devices.
Key Properties
Cross-validated computational properties for Sr2NiMoO6, 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.
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 Sr2NiMoO6, 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. |
|---|---|---|---|---|---|
| I4/m (No. 87) | tetragonal | 2.31 | 0.0000 | -7.450 | 5.57 |
| Fm-3m (No. 225) | cubic | 2.23 | 0.0108 | -7.439 | 5.57 |
| Fm-3m (No. 225) | — | — | — | — | — |
| I4/m (No. 87) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Sr2NiMoO6.
Applications
Where Sr2NiMoO6 is used.
Frequently Asked Questions
Common questions about Sr2NiMoO6, answered from cross-validated data.
What is Sr2NiMoO6?
Sr2NiMoO6 is a thermodynamically stable, semiconducting double perovskite oxide used in advanced materials research.
What is Sr2NiMoO6 used for?
What is the band gap of Sr2NiMoO6?
Is Sr2NiMoO6 a metal, semiconductor, or insulator?
Is Sr2NiMoO6 thermodynamically stable?
What is the crystal structure of Sr2NiMoO6?
What is the density of Sr2NiMoO6?
How many polymorphs of Sr2NiMoO6 are known?
How is Sr2NiMoO6 synthesized?
What elements does Sr2NiMoO6 contain?
Where does the data for Sr2NiMoO6 come from?
How It Compares
As a distinct member of the complex oxide family, Sr2NiMoO6 stands out for its thermodynamic stability and semiconducting behavior. While many related double perovskites are explored for their magnetic or catalytic properties, this compound serves as a stable baseline for investigating how the specific arrangement of nickel and molybdenum ions influences overall electronic performance.
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).
Analyze Sr2NiMoO6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →