Sr2CuClO2
Sr2CuClO2 is a stable, semiconducting cuprate that serves as an important structural reference within the family of copper-based oxides.
About Sr2CuClO2
Sr2CuClO2 is a thermodynamically stable member of the cuprate family, characterized by its semiconducting electronic nature. Its position on the convex hull signifies high structural integrity, making it a reliable subject for fundamental studies within the broader class of copper-based oxides and oxyhalides. The compound is frequently analyzed for its structural motifs, which are essential for understanding the physical properties of cuprates. With multiple reported structures, it serves as a key reference point for researchers investigating the interplay between stoichiometry and electronic behavior in complex copper-containing systems.
Key Properties
Cross-validated computational properties for Sr2CuClO2, 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 Sr2CuClO2, 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. |
|---|---|---|---|---|---|
| P3121 (No. 152) | trigonal | 2.38 | 0.0000 | -5.710 | 3.89 |
| P3121 (No. 152) | Trigonal | — | — | — | 3.89 |
| P3121 (No. 152) | Trigonal | — | — | — | 4.00 |
| P3121 (No. 152) | Trigonal | — | — | — | 3.95 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Sr2CuClO2 is used.
Frequently Asked Questions
Common questions about Sr2CuClO2, answered from cross-validated data.
What is Sr2CuClO2?
Sr2CuClO2 is a stable, semiconducting cuprate that serves as an important structural reference within the family of copper-based oxides.
What is Sr2CuClO2 used for?
What is the band gap of Sr2CuClO2?
Is Sr2CuClO2 a metal, semiconductor, or insulator?
Is Sr2CuClO2 thermodynamically stable?
What is the crystal structure of Sr2CuClO2?
What is the density of Sr2CuClO2?
How many polymorphs of Sr2CuClO2 are known?
What elements does Sr2CuClO2 contain?
Where does the data for Sr2CuClO2 come from?
How It Compares
Within the cuprate superconductors class.
Unlike the well-known high-temperature superconducting cuprates such as La2CuO4 or CaCuO2, Sr2CuClO2 exhibits semiconducting behavior, highlighting the diverse electronic landscape within the cuprate class. While many of its siblings are heavily researched for their superconductivity, this compound provides a stable, non-superconducting baseline that helps clarify the structural requirements for electronic transitions in copper-oxygen frameworks.
Related Compounds
Other Cuprate Superconductors 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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