Sb3ClO4
Sb3ClO4 is a semiconducting antimony oxychloride compound that is considered a promising candidate for experimental synthesis.
About Sb3ClO4
Sb3ClO4 is a complex antimony-based oxychloride that exhibits semiconducting electronic properties. Its structural configuration suggests a delicate balance of atomic arrangements, positioning it as a material of interest for fundamental solid-state studies.
As a near-hull compound, it occupies a region of the chemical space where synthesis is considered highly plausible. The existence of multiple reported structures across databases highlights its significance as a subject for ongoing characterization and experimental validation.
Key Properties
Cross-validated computational properties for Sb3ClO4, 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 Sb3ClO4. 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 Sb3ClO4, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 2.75 | 0.0000 | -1.400 | — |
| — | — | 2.71 | 0.0000 | -1.539 | — |
| — | — | 2.41 | 0.0000 | -1.539 | — |
| P2/c (No. 13) | monoclinic | 2.68 | 0.0487 | -5.886 | 5.31 |
| P2/c (No. 13) | monoclinic | — | — | — | 5.38 |
| P2/c (No. 13) | monoclinic | — | — | — | 5.18 |
| P2/c (No. 13) | monoclinic | — | — | — | 5.05 |
Applications
Where Sb3ClO4 is used.
Frequently Asked Questions
Common questions about Sb3ClO4, answered from cross-validated data.
What is Sb3ClO4?
Sb3ClO4 is a semiconducting antimony oxychloride compound that is considered a promising candidate for experimental synthesis.
What is Sb3ClO4 used for?
What is the band gap of Sb3ClO4?
Is Sb3ClO4 a metal, semiconductor, or insulator?
Is Sb3ClO4 thermodynamically stable?
What is the crystal structure of Sb3ClO4?
How many polymorphs of Sb3ClO4 are known?
What elements does Sb3ClO4 contain?
Where does the data for Sb3ClO4 come from?
How It Compares
As a unique antimony oxychloride, Sb3ClO4 serves as a distinct entry in the landscape of inorganic halides and oxides. Without direct siblings in this specific chemical grouping, it represents a specialized structural motif that offers researchers a standalone case study in how antimony, oxygen, and chlorine interact to influence semiconducting behavior.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Sb3ClO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →