H3O2
H3O2 is a metastable, insulating compound composed of hydrogen and oxygen atoms that exhibits significant structural complexity.
About H3O2
H3O2 is a hydrogen-oxygen compound that exists in a metastable state. Its electronic character is defined by a wide band gap, classifying it as an insulating material rather than a conductor or semiconductor. Due to its unique composition, it remains a subject of interest in fundamental chemical studies where hydrogen-oxygen bonding dynamics are explored. The material is characterized by a high degree of structural diversity, with numerous configurations reported in scientific databases. This structural variety highlights the complex nature of its atomic arrangements under varying conditions.
Key Properties
Cross-validated computational properties for H3O2, aggregated across 2 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 H3O2, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.83 | 0.0423 | -5.126 | 1.51 |
| P2/m (No. 10) | Monoclinic | — | — | — | 3.67 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.62 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.48 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.20 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.75 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.48 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.53 |
| P2/m (No. 10) | Monoclinic | — | — | — | 2.53 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.71 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.46 |
| R32 (No. 155) | Trigonal | — | — | — | 2.72 |
Applications
Where H3O2 is used.
Frequently Asked Questions
Common questions about H3O2, answered from cross-validated data.
What is H3O2?
H3O2 is a metastable, insulating compound composed of hydrogen and oxygen atoms that exhibits significant structural complexity.
What is H3O2 used for?
What is the band gap of H3O2?
Is H3O2 a metal, semiconductor, or insulator?
Is H3O2 thermodynamically stable?
What is the crystal structure of H3O2?
What is the density of H3O2?
How many polymorphs of H3O2 are known?
What elements does H3O2 contain?
Where does the data for H3O2 come from?
How It Compares
As a unique hydrogen-oxygen assembly, H3O2 occupies a specialized niche in materials science. Unlike more common binary oxides, its metastable nature and insulating properties make it a distinct subject for researchers investigating non-equilibrium phases and the fundamental limits of hydrogen-based bonding architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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