Sb4Cl2O5
Sb4Cl2O5 is a stable, semiconducting inorganic compound composed of antimony, chlorine, and oxygen.
About Sb4Cl2O5
Sb4Cl2O5 is a distinct inorganic oxychloride characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of antimony, chlorine, and oxygen atoms.
Its stability and electronic profile make it an intriguing subject for researchers investigating complex halide-oxide systems. With multiple reported structures, this compound serves as a valuable case study for understanding how anionic coordination influences the physical properties of antimony-based materials.
Key Properties
Cross-validated computational properties for Sb4Cl2O5, 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 Sb4Cl2O5. 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 Sb4Cl2O5, 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. |
|---|---|---|---|---|---|
| — | — | 2.70 | 0.0000 | -1.520 | — |
| P21/c (No. 14) | monoclinic | 2.75 | 0.0019 | -1.360 | — |
| P21/c (No. 14) | monoclinic | 2.65 | 0.0700 | -5.666 | 4.87 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.97 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.91 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.94 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.73 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.62 |
Frequently Asked Questions
Common questions about Sb4Cl2O5, answered from cross-validated data.
What is Sb4Cl2O5?
Sb4Cl2O5 is a stable, semiconducting inorganic compound composed of antimony, chlorine, and oxygen.
What is the band gap of Sb4Cl2O5?
Is Sb4Cl2O5 a metal, semiconductor, or insulator?
Is Sb4Cl2O5 thermodynamically stable?
What is the crystal structure of Sb4Cl2O5?
How many polymorphs of Sb4Cl2O5 are known?
What elements does Sb4Cl2O5 contain?
Where does the data for Sb4Cl2O5 come from?
How It Compares
As a unique inorganic compound within its structural category, Sb4Cl2O5 serves as a foundational example of stable antimony oxychlorides, providing a baseline for future exploration of similar halide-containing systems.
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.
Analyze Sb4Cl2O5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →