Cl24K12Sc4
Cl24K12Sc4 is a thermodynamically stable, insulating inorganic compound composed of potassium, scandium, and chlorine.
About Cl24K12Sc4
Cl24K12Sc4 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull confirms that it is a thermodynamically stable phase, making it a subject of interest for fundamental structural research.
Given its status as a stable insulator, this material represents a unique arrangement of scandium, potassium, and chlorine atoms. It serves as a valuable case study for understanding the structural diversity of complex halides in solid-state chemistry.
Key Properties
Cross-validated computational properties for Cl24K12Sc4, 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 Cl24K12Sc4, 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 | 3.95 | 0.0000 | -8.931 | 2.21 |
| Fm-3m (No. 225) | cubic | 4.01 | 0.0533 | -8.877 | 1.91 |
| — | — | — | — | — | 1.68 |
| — | — | — | — | — | 2.07 |
| P21/c (No. 14) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cl24K12Sc4, answered from cross-validated data.
What is Cl24K12Sc4?
Cl24K12Sc4 is a thermodynamically stable, insulating inorganic compound composed of potassium, scandium, and chlorine.
What is the band gap of Cl24K12Sc4?
Is Cl24K12Sc4 a metal, semiconductor, or insulator?
Is Cl24K12Sc4 thermodynamically stable?
What is the crystal structure of Cl24K12Sc4?
What is the density of Cl24K12Sc4?
How many polymorphs of Cl24K12Sc4 are known?
What elements does Cl24K12Sc4 contain?
Where does the data for Cl24K12Sc4 come from?
How It Compares
As a distinct inorganic phase, Cl24K12Sc4 functions as a stable structural archetype within its chemical system, providing a benchmark for how alkali metals and transition metals coordinate with halide anions to form insulating frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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