NaCrF6
NaCrF6 is a stable semiconducting fluoride compound characterized by its well-defined structural properties.
About NaCrF6
NaCrF6 is a complex fluoride compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust material configuration that has been extensively documented across multiple structural databases.
Its unique chemical composition makes it a subject of interest for researchers investigating specialized inorganic frameworks. The material's stability and electronic profile suggest potential utility in applications requiring stable semiconducting components.
Key Properties
Cross-validated computational properties for NaCrF6, 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 NaCrF6, 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 | 1.37 | 0.0000 | -5.373 | 3.06 |
| R-3 (No. 148) | trigonal | 0.00 | 0.0359 | -5.338 | 2.58 |
| Pnma (No. 62) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| P2/m (No. 10) | Monoclinic | — | — | — | 3.33 |
| P2/m (No. 10) | Monoclinic | — | — | — | 3.29 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.19 |
| R-3 (No. 148) | Trigonal | — | — | — | 2.58 |
| R-3 (No. 148) | Trigonal | — | — | — | 2.78 |
| R-3 (No. 148) | Trigonal | — | — | — | 2.67 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.81 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.01 |
Applications
Where NaCrF6 is used.
Frequently Asked Questions
Common questions about NaCrF6, answered from cross-validated data.
What is NaCrF6?
NaCrF6 is a stable semiconducting fluoride compound characterized by its well-defined structural properties.
What is NaCrF6 used for?
What is the band gap of NaCrF6?
Is NaCrF6 a metal, semiconductor, or insulator?
Is NaCrF6 thermodynamically stable?
What is the crystal structure of NaCrF6?
What is the density of NaCrF6?
How many polymorphs of NaCrF6 are known?
What elements does NaCrF6 contain?
Where does the data for NaCrF6 come from?
How It Compares
As a distinct inorganic fluoride, NaCrF6 occupies a unique position in materials research. Without direct structural siblings in this specific class, it serves as a primary reference point for understanding the behavior of sodium-chromium fluoride systems and their underlying thermodynamic stability.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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