C4Ca8F8O12
C4Ca8F8O12 is a metastable, insulating inorganic compound composed of carbon, calcium, fluorine, and oxygen.
About C4Ca8F8O12
C4Ca8F8O12 is a complex, multi-element inorganic compound characterized by its wide-gap insulating electronic profile. Its structural arrangement reflects a delicate balance of chemical constituents, marking it as a material of interest for fundamental studies in solid-state chemistry.
As a metastable phase, this compound represents a specific configuration within its chemical system. Its existence across multiple databases underscores its significance as a subject for ongoing research into synthetic pathways and structural stability in complex oxide-fluoride systems.
Key Properties
Cross-validated computational properties for C4Ca8F8O12, 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 C4Ca8F8O12, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 5.16 | 0.0281 | -7.224 | 3.02 |
| Pbcn (No. 60) | — | — | — | — | — |
| — | — | — | — | — | 2.54 |
| Pbcn (No. 60) | — | — | — | — | — |
Frequently Asked Questions
Common questions about C4Ca8F8O12, answered from cross-validated data.
What is C4Ca8F8O12?
C4Ca8F8O12 is a metastable, insulating inorganic compound composed of carbon, calcium, fluorine, and oxygen.
What is the band gap of C4Ca8F8O12?
Is C4Ca8F8O12 a metal, semiconductor, or insulator?
Is C4Ca8F8O12 thermodynamically stable?
What is the crystal structure of C4Ca8F8O12?
What is the density of C4Ca8F8O12?
How many polymorphs of C4Ca8F8O12 are known?
What elements does C4Ca8F8O12 contain?
Where does the data for C4Ca8F8O12 come from?
How It Compares
As a unique, unclassified material, C4Ca8F8O12 stands as a distinct entry in the landscape of complex inorganic solids. Without direct structural siblings, it serves as an important reference point for understanding how carbon, calcium, fluorine, and oxygen interact to form stable or metastable frameworks.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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