H3F2
H3F2 is a thermodynamically stable, insulating compound composed of hydrogen and fluorine that exhibits a wide electronic band gap.
About H3F2
H3F2 is a unique hydrogen-fluorine compound that exists as a thermodynamically stable phase on the convex hull. As a wide-band-gap insulator, it exhibits distinct electronic characteristics that set it apart from typical metallic or semiconducting hydrogen-based materials.
Its structural complexity is highlighted by a significant number of reported configurations across multiple databases. This diversity in structural arrangements makes it a subject of interest for researchers investigating the fundamental bonding behaviors of light elements under varying conditions.
Key Properties
Cross-validated computational properties for H3F2, 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 H3F2, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 8.31 | 0.0000 | -4.598 | 1.25 |
| P1 (No. 1) | triclinic | 8.07 | 0.0000 | -4.210 | 1.26 |
| P1 (No. 1) | triclinic | 7.90 | 0.0234 | -4.186 | 1.41 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 3.29 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.47 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.36 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.42 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 2.40 |
| P1 (No. 1) | Triclinic | — | — | — | 1.43 |
| P1 (No. 1) | Triclinic | — | — | — | 1.41 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.32 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.67 |
Frequently Asked Questions
Common questions about H3F2, answered from cross-validated data.
What is H3F2?
H3F2 is a thermodynamically stable, insulating compound composed of hydrogen and fluorine that exhibits a wide electronic band gap.
What is the band gap of H3F2?
Is H3F2 a metal, semiconductor, or insulator?
Is H3F2 thermodynamically stable?
What is the crystal structure of H3F2?
What is the density of H3F2?
How many polymorphs of H3F2 are known?
What elements does H3F2 contain?
Where does the data for H3F2 come from?
How It Compares
As an unclassified material with no direct structural siblings in this context, H3F2 stands as a distinct entity within the landscape of hydrogen-fluorine chemistry, representing a stable, insulating state that serves as a benchmark for theoretical and experimental studies of high-pressure or exotic phase chemistry.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze H3F2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →