K2ErF5
This compound is a complex fluoride material containing potassium and erbium. It is primarily studied for its optical properties and potential utility in advanced photonics and laser technology applications.
ErFK
Overview
Key Properties
Cross-validated computational properties for K2ErF5, 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.
6.79 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)
2 DFT sources
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 K2ErF5, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 6.79 | 0.0000 | -5.824 | 4.53 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.25 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.38 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.38 |
| Pnma (No. 62) | — | — | — | — | — |
Uses
Applications
Where K2ErF5 is used.
Optical materials researchLaser host materialsPhosphor developmentSolid-state lighting research
Reference
Frequently Asked Questions
Common questions about K2ErF5, answered from cross-validated data.
What is K2ErF5?
This compound is a complex fluoride material containing potassium and erbium. It is primarily studied for its optical properties and potential utility in advanced photonics and laser technology applications.
More questions
What is K2ErF5 used for?
K2ErF5 is used in optical materials research, laser host materials, phosphor development, and solid-state lighting research.
What is the band gap of K2ErF5?
K2ErF5 has a DFT-computed band gap of 6.79 eV across 5 reported structures.
Is K2ErF5 a metal, semiconductor, or insulator?
With a wide band gap up to 6.79 eV it is an insulator / wide-band-gap material.
Is K2ErF5 thermodynamically stable?
Yes — K2ErF5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K2ErF5?
The lowest-energy reported polymorph of K2ErF5 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of K2ErF5?
The computed density of the ground-state structure of K2ErF5 is 4.53 g/cm³.
How many polymorphs of K2ErF5 are known?
5 structures of K2ErF5 are reported across 3 databases, spanning 1 distinct space group.
What elements does K2ErF5 contain?
K2ErF5 contains Er, F, and K (3 elements).
Where does the data for K2ErF5 come from?
K2ErF5 data is cross-referenced from materials_project, mpaloe, jarvis.
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).
Analyze K2ErF5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →