KCoF4
KCoF4 is a thermodynamically stable semiconducting fluoride compound that exists in multiple structural forms.
About KCoF4
KCoF4 is a distinct inorganic fluoride compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within its chemical system.
This material is of significant interest to researchers studying transition metal fluorides due to its structural diversity. With multiple reported structures across various databases, it serves as a key subject for understanding phase stability and electronic behavior in complex fluoride lattices.
Key Properties
Cross-validated computational properties for KCoF4, 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 KCoF4, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 1.12 | 0.0000 | -7.790 | 3.49 |
| P21212 (No. 18) | orthorhombic | 0.63 | 0.0009 | -5.099 | 3.30 |
| P21212 (No. 18) | Orthorhombic | — | — | — | 3.30 |
| P21212 (No. 18) | Orthorhombic | — | — | — | 3.58 |
| Pmmn (No. 59) | — | — | — | — | — |
| P21212 (No. 18) | Orthorhombic | — | — | — | 3.49 |
Applications
Where KCoF4 is used.
Frequently Asked Questions
Common questions about KCoF4, answered from cross-validated data.
What is KCoF4?
KCoF4 is a thermodynamically stable semiconducting fluoride compound that exists in multiple structural forms.
What is KCoF4 used for?
What is the band gap of KCoF4?
Is KCoF4 a metal, semiconductor, or insulator?
Is KCoF4 thermodynamically stable?
What is the crystal structure of KCoF4?
What is the density of KCoF4?
How many polymorphs of KCoF4 are known?
What elements does KCoF4 contain?
Where does the data for KCoF4 come from?
How It Compares
As a thermodynamically stable member of the fluoride family, KCoF4 serves as a benchmark for structural integrity. It occupies a unique position in its chemical space, providing a reliable reference point for evaluating the stability and electronic properties of related transition metal compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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