H32F20N8Nb4O4
H32F20N8Nb4O4 is a thermodynamically stable, insulating inorganic compound composed of niobium, oxygen, fluorine, nitrogen, and hydrogen.
About H32F20N8Nb4O4
H32F20N8Nb4O4 is a complex, multi-element inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull indicates that it is a thermodynamically stable material, suggesting robust structural integrity under standard conditions.
This material is of interest to researchers investigating novel insulating frameworks that incorporate niobium and fluorine. Its unique chemical composition allows for distinct electronic behavior, making it a subject of study for advanced material design where stable, non-conductive components are required.
Key Properties
Cross-validated computational properties for H32F20N8Nb4O4, 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 H32F20N8Nb4O4, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 4.31 | 0.0000 | -5.767 | 2.45 |
| — | — | — | — | — | 2.18 |
| No. 0 | unknown | — | — | — | 0.64 |
Frequently Asked Questions
Common questions about H32F20N8Nb4O4, answered from cross-validated data.
What is H32F20N8Nb4O4?
H32F20N8Nb4O4 is a thermodynamically stable, insulating inorganic compound composed of niobium, oxygen, fluorine, nitrogen, and hydrogen.
What is the band gap of H32F20N8Nb4O4?
Is H32F20N8Nb4O4 a metal, semiconductor, or insulator?
Is H32F20N8Nb4O4 thermodynamically stable?
What is the crystal structure of H32F20N8Nb4O4?
What is the density of H32F20N8Nb4O4?
How many polymorphs of H32F20N8Nb4O4 are known?
What elements does H32F20N8Nb4O4 contain?
Where does the data for H32F20N8Nb4O4 come from?
How It Compares
As a unique inorganic structure, H32F20N8Nb4O4 represents a specialized entry in the landscape of complex niobium-based compounds. Unlike more common binary oxides or simple fluorides, this material integrates a diverse array of elements into a stable framework, serving as a distinct example of how complex stoichiometry can yield thermodynamically favored insulating phases.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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