Ca2Cs10F30Ni8
Ca2Cs10F30Ni8 is a thermodynamically stable, insulating inorganic compound composed of calcium, cesium, fluorine, and nickel.
About Ca2Cs10F30Ni8
Ca2Cs10F30Ni8 is a complex fluoride-based inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull indicates high thermodynamic stability, making it a robust candidate for fundamental materials research and structural analysis. The compound is notable for its intricate stoichiometry involving calcium, cesium, fluorine, and nickel. Given its stable nature, it serves as an interesting subject for studying complex ionic lattices and coordination environments in multi-element fluoride systems. Its insulating behavior suggests potential utility in specialized dielectric applications or as a structural component in advanced inorganic synthesis.
Key Properties
Cross-validated computational properties for Ca2Cs10F30Ni8, 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 Ca2Cs10F30Ni8, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 5.46 | 0.0000 | -5.170 | 4.60 |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 4.61 |
Applications
Where Ca2Cs10F30Ni8 is used.
Frequently Asked Questions
Common questions about Ca2Cs10F30Ni8, answered from cross-validated data.
What is Ca2Cs10F30Ni8?
Ca2Cs10F30Ni8 is a thermodynamically stable, insulating inorganic compound composed of calcium, cesium, fluorine, and nickel.
What is Ca2Cs10F30Ni8 used for?
What is the band gap of Ca2Cs10F30Ni8?
Is Ca2Cs10F30Ni8 a metal, semiconductor, or insulator?
Is Ca2Cs10F30Ni8 thermodynamically stable?
What is the crystal structure of Ca2Cs10F30Ni8?
What is the density of Ca2Cs10F30Ni8?
How many polymorphs of Ca2Cs10F30Ni8 are known?
What elements does Ca2Cs10F30Ni8 contain?
Where does the data for Ca2Cs10F30Ni8 come from?
How It Compares
As a unique multi-component fluoride, this compound represents a complex structural arrangement within its class. While it lacks direct siblings in this specific dataset, its stability and insulating nature distinguish it as a highly ordered phase compared to more disordered or metastable fluoride materials.
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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