CaSbF5
CaSbF5 is an insulating inorganic compound that is theoretically stable enough to be synthesized for research purposes.
About CaSbF5
CaSbF5 is an inorganic compound composed of calcium, antimony, and fluorine. It is characterized as a wide-gap insulator, indicating that it does not conduct electricity under standard conditions and possesses a significant electronic gap between its valence and conduction bands.
Due to its near-hull thermodynamic stability, this material is considered a viable candidate for experimental synthesis. Its structural versatility is highlighted by a diverse range of reported configurations, making it an interesting subject for fundamental solid-state chemistry studies.
Key Properties
Cross-validated computational properties for CaSbF5, aggregated across 2 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 CaSbF5, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 5.14 | 0.0068 | -10.130 | 4.25 |
| P21/c (No. 14) | monoclinic | 4.52 | 0.0104 | -5.577 | 3.61 |
| P1 (No. 1) | triclinic | 4.48 | 0.0288 | -5.559 | 3.32 |
| Cc (No. 9) | monoclinic | 3.15 | 0.0818 | -5.506 | 3.34 |
| C2/c (No. 15) | monoclinic | 2.99 | 0.0835 | -5.504 | 3.34 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.34 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.47 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.44 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.61 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.77 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.71 |
| P1 (No. 1) | Triclinic | — | — | — | 3.45 |
Applications
Where CaSbF5 is used.
Frequently Asked Questions
Common questions about CaSbF5, answered from cross-validated data.
What is CaSbF5?
CaSbF5 is an insulating inorganic compound that is theoretically stable enough to be synthesized for research purposes.
What is CaSbF5 used for?
What is the band gap of CaSbF5?
Is CaSbF5 a metal, semiconductor, or insulator?
Is CaSbF5 thermodynamically stable?
What is the crystal structure of CaSbF5?
What is the density of CaSbF5?
How many polymorphs of CaSbF5 are known?
What elements does CaSbF5 contain?
Where does the data for CaSbF5 come from?
How It Compares
As a unique inorganic compound, CaSbF5 occupies a specialized niche in materials science. Without direct structural siblings in this specific class, it serves as a distinct example of how complex fluorinated frameworks can achieve thermodynamic stability, providing a baseline for future explorations into calcium-antimony-fluorine systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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