SmClO
SmClO is a stable, wide-band-gap insulating compound consisting of samarium, chlorine, and oxygen.
About SmClO
SmClO is an insulating compound composed of samarium, chlorine, and oxygen. As a thermodynamically stable material located on the convex hull, it represents a robust structural configuration that maintains its integrity under standard conditions. Its electronic character is defined by a wide band gap, making it a subject of interest for specialized dielectric or optical applications where insulating behavior is required. The material has been documented across multiple structural configurations, highlighting its versatility in solid-state chemistry.
Key Properties
Cross-validated computational properties for SmClO, 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 SmClO, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 4.88 | 0.0000 | -7.328 | 6.26 |
| Pnma (No. 62) | orthorhombic | 0.26 | 0.6724 | -4.620 | 4.53 |
| No. 0 | unknown | — | — | — | 3.14 |
| P4/nmm (No. 129) | — | — | — | — | — |
Applications
Where SmClO is used.
Frequently Asked Questions
Common questions about SmClO, answered from cross-validated data.
What is SmClO?
SmClO is a stable, wide-band-gap insulating compound consisting of samarium, chlorine, and oxygen.
What is SmClO used for?
What is the band gap of SmClO?
Is SmClO a metal, semiconductor, or insulator?
Is SmClO thermodynamically stable?
What is the crystal structure of SmClO?
What is the density of SmClO?
How many polymorphs of SmClO are known?
What elements does SmClO contain?
Where does the data for SmClO come from?
How It Compares
As a member of the rare-earth oxyhalide family, SmClO serves as a fundamental example of stable insulating materials within this chemical class. It functions as a baseline for understanding how the integration of lanthanide elements with halogen and oxygen anions influences structural stability and electronic insulation, providing a reference point for future synthetic explorations in the field.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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