CdH4O5S2
CdH4O5S2 is a metastable, wide-band-gap insulating compound composed of cadmium, hydrogen, oxygen, and sulfur.
About CdH4O5S2
CdH4O5S2 is a complex inorganic compound characterized by its insulating, wide-band-gap electronic structure. As a metastable phase, it represents a specific configuration of cadmium, sulfur, oxygen, and hydrogen atoms that offers unique structural insights for researchers studying inorganic synthesis.
Its significance lies in its distinct atomic arrangement, which provides a specialized platform for investigating the behavior of metastable materials. While its practical utility is still being evaluated, its insulating nature makes it a subject of interest for fundamental studies in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for CdH4O5S2, 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 CdH4O5S2. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for CdH4O5S2, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for CdH4O5S2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.12 | 0.0879 | -5.260 | 2.89 |
| P21/c (No. 14) | monoclinic | — | — | — | — |
| P21/c (No. 14) | monoclinic | — | — | — | 3.08 |
Applications
Where CdH4O5S2 is used.
Frequently Asked Questions
Common questions about CdH4O5S2, answered from cross-validated data.
What is CdH4O5S2?
CdH4O5S2 is a metastable, wide-band-gap insulating compound composed of cadmium, hydrogen, oxygen, and sulfur.
What is CdH4O5S2 used for?
What is the band gap of CdH4O5S2?
Is CdH4O5S2 a metal, semiconductor, or insulator?
Is CdH4O5S2 thermodynamically stable?
What is the crystal structure of CdH4O5S2?
What is the density of CdH4O5S2?
How many polymorphs of CdH4O5S2 are known?
What elements does CdH4O5S2 contain?
Where does the data for CdH4O5S2 come from?
How It Compares
As a unique inorganic compound, CdH4O5S2 occupies a specialized niche within the broader landscape of cadmium-based salts and hydrated sulfates. Unlike more common, thermodynamically stable phases, this material provides a distinct structural profile that allows researchers to probe the limits of stability and electronic behavior in complex hydrated systems.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (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)
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