C4Ca2H12O14
C4Ca2H12O14 is a metastable, insulating calcium-based compound composed of carbon, hydrogen, and oxygen.
About C4Ca2H12O14
C4Ca2H12O14 is a complex organic-inorganic hybrid material characterized by its wide-gap insulating electronic profile. As a metastable phase, it represents a unique structural arrangement of carbon, calcium, hydrogen, and oxygen that requires specific synthesis conditions to maintain its integrity.
This compound is of interest to researchers investigating the structural diversity of calcium-based organic frameworks. Its insulating nature and metastable state suggest it may serve as a specialized precursor or a model system for studying coordination chemistry in complex solid-state environments.
Key Properties
Cross-validated computational properties for C4Ca2H12O14, 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 C4Ca2H12O14, 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 | 3.72 | 0.0350 | -6.408 | 1.83 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.93 |
| No. 0 | unknown | — | — | — | 0.93 |
Applications
Where C4Ca2H12O14 is used.
Frequently Asked Questions
Common questions about C4Ca2H12O14, answered from cross-validated data.
What is C4Ca2H12O14?
C4Ca2H12O14 is a metastable, insulating calcium-based compound composed of carbon, hydrogen, and oxygen.
What is C4Ca2H12O14 used for?
What is the band gap of C4Ca2H12O14?
Is C4Ca2H12O14 a metal, semiconductor, or insulator?
Is C4Ca2H12O14 thermodynamically stable?
What is the crystal structure of C4Ca2H12O14?
What is the density of C4Ca2H12O14?
How many polymorphs of C4Ca2H12O14 are known?
What elements does C4Ca2H12O14 contain?
Where does the data for C4Ca2H12O14 come from?
How It Compares
As a unique entry in the current material database, this compound serves as a distinct point of study for calcium-based molecular structures, highlighting the diversity of phases that can be achieved within this chemical system.
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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