C4Gd2H14O16S2
C4Gd2H14O16S2 is a metastable, semiconducting gadolinium-based compound used in fundamental materials research.
About C4Gd2H14O16S2
C4Gd2H14O16S2 is a complex, metastable inorganic-organic hybrid compound characterized by its semiconducting electronic nature. Its unique composition of gadolinium, carbon, hydrogen, oxygen, and sulfur suggests a specialized role in materials science research where electronic properties are tuned by molecular coordination.
Because it exists in a metastable state, this compound is of significant interest for studies regarding phase stability and structural transformation. It serves as a subject for exploring how rare-earth elements interact within complex chemical frameworks to influence charge transport and material durability.
Key Properties
Cross-validated computational properties for C4Gd2H14O16S2, 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 C4Gd2H14O16S2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.88 | 0.0861 | -6.880 | 3.12 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.62 |
Applications
Where C4Gd2H14O16S2 is used.
Frequently Asked Questions
Common questions about C4Gd2H14O16S2, answered from cross-validated data.
What is C4Gd2H14O16S2?
C4Gd2H14O16S2 is a metastable, semiconducting gadolinium-based compound used in fundamental materials research.
What is C4Gd2H14O16S2 used for?
What is the band gap of C4Gd2H14O16S2?
Is C4Gd2H14O16S2 a metal, semiconductor, or insulator?
Is C4Gd2H14O16S2 thermodynamically stable?
What is the crystal structure of C4Gd2H14O16S2?
What is the density of C4Gd2H14O16S2?
How many polymorphs of C4Gd2H14O16S2 are known?
What elements does C4Gd2H14O16S2 contain?
Where does the data for C4Gd2H14O16S2 come from?
How It Compares
As a unique compound within its chemical space, C4Gd2H14O16S2 represents an isolated point of study. Unlike more conventional, highly stable bulk materials, its metastability makes it a distinct candidate for investigating non-equilibrium synthetic pathways and structural evolution in rare-earth-based semiconductors.
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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