SrCrO3
SrCrO3 is a metastable, semiconducting oxide catalyst studied for its unique electronic behavior in chemical reactions.
About SrCrO3
SrCrO3 is a semiconducting oxide that exists in a metastable state. As a member of the broader class of oxide catalysts, it offers a distinct electronic environment that influences its reactivity and potential for chemical transformation processes. Its structural complexity is highlighted by the multiple reported configurations found in research databases.
This material is of significant interest for researchers investigating non-equilibrium phases in transition metal oxides. By leveraging its semiconducting nature, scientists explore how metastable oxides can serve as active sites in catalytic cycles, potentially offering different pathways compared to more thermodynamically stable oxide counterparts.
Key Properties
Cross-validated computational properties for SrCrO3, 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 SrCrO3, 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. |
|---|---|---|---|---|---|
| Ama2 (No. 40) | orthorhombic | 0.72 | 0.0576 | -7.825 | 5.12 |
| Ama2 (No. 40) | orthorhombic | 0.59 | 0.0653 | -7.817 | 5.07 |
| Ama2 (No. 40) | orthorhombic | 0.83 | 0.0702 | -7.812 | 5.02 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0725 | -7.810 | 5.28 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0857 | -7.796 | 5.26 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0964 | -7.786 | 5.17 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1691 | -7.713 | 5.12 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1986 | -7.684 | 5.06 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.51 |
| Ama2 (No. 40) | Orthorhombic | — | — | — | 5.02 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.44 |
| Pm-3m (No. 221) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting SrCrO3.
Applications
Where SrCrO3 is used.
Frequently Asked Questions
Common questions about SrCrO3, answered from cross-validated data.
What is SrCrO3?
SrCrO3 is a metastable, semiconducting oxide catalyst studied for its unique electronic behavior in chemical reactions.
What is SrCrO3 used for?
What is the band gap of SrCrO3?
Is SrCrO3 a metal, semiconductor, or insulator?
Is SrCrO3 thermodynamically stable?
What is the crystal structure of SrCrO3?
What is the density of SrCrO3?
How many polymorphs of SrCrO3 are known?
How is SrCrO3 synthesized?
What elements does SrCrO3 contain?
Where does the data for SrCrO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and widely utilized MgAl2O4 spinel or the robust Al2O3, SrCrO3 is characterized by its metastability, which presents both challenges and opportunities in catalytic design. While compounds like NiO and CuO are frequently employed for their established redox properties, SrCrO3 provides a unique electronic profile that distinguishes it from the more common perovskite-structured relatives like LaMnO3 or LaAlO3.
Related Compounds
Other Spinel Oxide Catalysts in the database.
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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