H8O40S4Sb16
This complex inorganic compound is a hydrated antimony sulfate derivative. It is primarily studied for its structural properties in solid-state chemistry and as a precursor in the synthesis of specialized antimony-based materials.
HOSSb
Overview
Key Properties
Cross-validated computational properties for H8O40S4Sb16, 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.
3.36 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for H8O40S4Sb16, 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. |
|---|---|---|---|---|---|
| Pca21 (No. 29) | orthorhombic | 3.36 | 0.0000 | -6.235 | 4.42 |
| Pca21 (No. 29) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.17 |
| No. 0 | unknown | — | — | — | 1.17 |
Uses
Applications
Where H8O40S4Sb16 is used.
Materials science researchPrecursor for antimony-based compoundsSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about H8O40S4Sb16, answered from cross-validated data.
What is H8O40S4Sb16?
This complex inorganic compound is a hydrated antimony sulfate derivative. It is primarily studied for its structural properties in solid-state chemistry and as a precursor in the synthesis of specialized antimony-based materials.
More questions
What is H8O40S4Sb16 used for?
H8O40S4Sb16 is used in materials science research, precursor for antimony-based compounds, and solid-state chemistry studies.
What is the band gap of H8O40S4Sb16?
H8O40S4Sb16 has a DFT-computed band gap of 3.36 eV across 4 reported structures.
Is H8O40S4Sb16 a metal, semiconductor, or insulator?
With a wide band gap up to 3.36 eV it is an insulator / wide-band-gap material.
Is H8O40S4Sb16 thermodynamically stable?
Yes — H8O40S4Sb16 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of H8O40S4Sb16?
The lowest-energy reported polymorph of H8O40S4Sb16 is orthorhombic symmetry, space group Pca21 (No. 29).
What is the density of H8O40S4Sb16?
The computed density of the ground-state structure of H8O40S4Sb16 is 4.42 g/cm³.
How many polymorphs of H8O40S4Sb16 are known?
4 structures of H8O40S4Sb16 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H8O40S4Sb16 contain?
H8O40S4Sb16 contains H, O, S, and Sb (4 elements).
Where does the data for H8O40S4Sb16 come from?
H8O40S4Sb16 data is cross-referenced from materials_project, aflow, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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