C4Cd2H12O14
C4Cd2H12O14 is a metastable, insulating cadmium-containing compound primarily utilized in fundamental materials science research.
About C4Cd2H12O14
C4Cd2H12O14 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. As a metastable material, it represents a unique structural configuration within its chemical system, offering researchers a distinct pathway for studying coordination chemistry and solid-state behavior.
Its structural complexity is highlighted by multiple known configurations, suggesting a sensitivity to synthesis conditions that is typical of metastable phases. This material serves as a specialized subject for investigations into the fundamental properties of cadmium-based organic-inorganic hybrid frameworks.
Key Properties
Cross-validated computational properties for C4Cd2H12O14, 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.
Reported Structures
Lowest-energy structures reported for C4Cd2H12O14, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 3.59 | 0.0529 | -6.033 | 2.59 |
| P1 (No. 1) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.37 |
| No. 0 | unknown | — | — | — | 2.69 |
Applications
Where C4Cd2H12O14 is used.
Frequently Asked Questions
Common questions about C4Cd2H12O14, answered from cross-validated data.
What is C4Cd2H12O14?
C4Cd2H12O14 is a metastable, insulating cadmium-containing compound primarily utilized in fundamental materials science research.
What is C4Cd2H12O14 used for?
What is the band gap of C4Cd2H12O14?
Is C4Cd2H12O14 a metal, semiconductor, or insulator?
Is C4Cd2H12O14 thermodynamically stable?
What is the crystal structure of C4Cd2H12O14?
What is the density of C4Cd2H12O14?
How many polymorphs of C4Cd2H12O14 are known?
What elements does C4Cd2H12O14 contain?
Where does the data for C4Cd2H12O14 come from?
How It Compares
As a standalone entry in its current classification context, C4Cd2H12O14 serves as a primary reference point for understanding the stability and electronic behavior of similar cadmium-based coordination compounds. Its metastable nature distinguishes it from more common, highly stable crystalline solids, positioning it as a focus for experimental synthesis studies.
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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