SbClO
SbClO is a thermodynamically stable, wide-gap insulating inorganic compound with a versatile structural profile.
About SbClO
SbClO is a distinct inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the antimony oxyhalide family, it maintains a robust structural framework that sits securely on the convex hull, indicating favorable formation conditions. Its wide-gap electronic profile makes it a subject of interest for specialized optoelectronic and dielectric investigations. The material exhibits significant structural diversity, with multiple reported configurations across various databases, highlighting its versatile coordination chemistry. This complexity suggests that SbClO could serve as a foundational building block for advanced functional materials where stable, insulating behavior is required.
Key Properties
Cross-validated computational properties for SbClO, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of SbClO. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for SbClO, 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. |
|---|---|---|---|---|---|
| — | — | 3.07 | 0.0000 | -1.423 | — |
| P4/nmm (No. 129) | tetragonal | 2.06 | 0.0000 | -1.261 | — |
| — | — | 1.89 | 0.0337 | -1.389 | — |
| — | — | 2.75 | 0.0416 | -1.381 | — |
| — | — | 0.00 | 0.0676 | -1.355 | — |
| P21/c (No. 14) | monoclinic | 3.10 | 0.1627 | -5.043 | 4.23 |
| R-3m (No. 166) | trigonal | 1.88 | 0.1879 | -1.073 | — |
| P4/nmm (No. 129) | tetragonal | 1.86 | 0.2077 | -4.998 | 5.06 |
| P4/nmm (No. 129) | tetragonal | 1.11 | 0.3450 | -0.916 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 1.2343 | -0.027 | — |
| Pm (No. 6) | monoclinic | 0.00 | 1.3158 | 0.054 | — |
| P4mm (No. 99) | tetragonal | 0.00 | 2.1229 | 0.861 | — |
Applications
Where SbClO is used.
Frequently Asked Questions
Common questions about SbClO, answered from cross-validated data.
What is SbClO?
SbClO is a thermodynamically stable, wide-gap insulating inorganic compound with a versatile structural profile.
What is SbClO used for?
What is the band gap of SbClO?
Is SbClO a metal, semiconductor, or insulator?
Is SbClO thermodynamically stable?
What is the crystal structure of SbClO?
What is the density of SbClO?
How many polymorphs of SbClO are known?
What elements does SbClO contain?
Where does the data for SbClO come from?
How It Compares
As a unique inorganic phase, SbClO represents a stable, insulating member of the antimony-based oxyhalide class. While it lacks direct siblings in this specific dataset, it serves as a critical reference point for understanding the structural stability and electronic behavior of similar p-block oxyhalides in solid-state chemistry.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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