F48K12Tm12
This compound is a complex fluoride containing potassium and thulium. It is primarily studied in the field of solid-state chemistry and materials science for its structural properties and potential optical characteristics.
FKTm
Overview
Key Properties
Cross-validated computational properties for F48K12Tm12, 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.
6.85 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for F48K12Tm12, 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. |
|---|---|---|---|---|---|
| P32 (No. 145) | trigonal | 6.85 | 0.0000 | -6.255 | 4.90 |
| P32 (No. 145) | trigonal | — | — | — | 1.62 |
| — | — | — | — | — | 4.00 |
| — | — | — | — | — | 4.00 |
| P32 (No. 145) | trigonal | — | — | — | 1.62 |
Uses
Applications
Where F48K12Tm12 is used.
Materials science researchSolid-state chemistry studiesOptical materials development
Reference
Frequently Asked Questions
Common questions about F48K12Tm12, answered from cross-validated data.
What is F48K12Tm12?
This compound is a complex fluoride containing potassium and thulium. It is primarily studied in the field of solid-state chemistry and materials science for its structural properties and potential optical characteristics.
More questions
What is F48K12Tm12 used for?
F48K12Tm12 is used in materials science research, solid-state chemistry studies, and optical materials development.
What is the band gap of F48K12Tm12?
F48K12Tm12 has a DFT-computed band gap of 6.85 eV across 5 reported structures.
Is F48K12Tm12 a metal, semiconductor, or insulator?
With a wide band gap up to 6.85 eV it is an insulator / wide-band-gap material.
Is F48K12Tm12 thermodynamically stable?
Yes — F48K12Tm12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of F48K12Tm12?
The lowest-energy reported polymorph of F48K12Tm12 is trigonal symmetry, space group P32 (No. 145).
What is the density of F48K12Tm12?
The computed density of the ground-state structure of F48K12Tm12 is 4.90 g/cm³.
How many polymorphs of F48K12Tm12 are known?
5 structures of F48K12Tm12 are reported across 3 databases, spanning 1 distinct space group.
What elements does F48K12Tm12 contain?
F48K12Tm12 contains F, K, and Tm (3 elements).
Where does the data for F48K12Tm12 come from?
F48K12Tm12 data is cross-referenced from materials_project, cod, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze F48K12Tm12 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →