SrClO
SrClO is a semiconducting oxyhalide compound that exhibits metastable thermodynamic characteristics.
About SrClO
SrClO is a complex oxyhalide material characterized by its semiconducting electronic nature. As a compound containing strontium, chlorine, and oxygen, it represents a niche area of inorganic chemistry where anionic frameworks dictate unique physical behaviors.
Due to its position relative to the thermodynamic ground state, this material is considered metastable. Its existence across multiple reported structures highlights the structural complexity and synthetic challenges inherent in managing such oxyhalide systems.
Key Properties
Cross-validated computational properties for SrClO, 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 SrClO, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.73 | 0.2696 | -5.129 | 3.03 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.4400 | -4.514 | 3.15 |
| C2/c (No. 15) | monoclinic | 2.39 | 0.4509 | -4.503 | 3.60 |
| Cmme (No. 67) | orthorhombic | 1.72 | 0.4964 | -4.458 | 3.65 |
| P63mc (No. 186) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.51 |
| No. 0 | unknown | — | — | — | 0.51 |
Frequently Asked Questions
Common questions about SrClO, answered from cross-validated data.
What is SrClO?
SrClO is a semiconducting oxyhalide compound that exhibits metastable thermodynamic characteristics.
What is the band gap of SrClO?
Is SrClO a metal, semiconductor, or insulator?
Is SrClO thermodynamically stable?
What is the crystal structure of SrClO?
What is the density of SrClO?
How many polymorphs of SrClO are known?
What elements does SrClO contain?
Where does the data for SrClO come from?
How It Compares
As a standalone entry in this database, SrClO serves as a representative example of the structural diversity found in strontium-based oxyhalides. It provides a baseline for understanding how the interplay of halide and oxide ions influences the stability and electronic properties of these complex inorganic phases.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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