H3ClO5
H3ClO5 is a thermodynamically stable, wide-gap insulating inorganic compound composed of hydrogen, chlorine, and oxygen.
About H3ClO5
H3ClO5 is a distinct inorganic compound characterized by its insulating electronic nature and wide-band-gap behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within its chemical system.
Its structural complexity is evidenced by the multiple reported configurations found in scientific databases. This material serves as a significant subject for researchers investigating the fundamental interactions between hydrogen, chlorine, and oxygen in solid-state chemistry.
Key Properties
Cross-validated computational properties for H3ClO5, 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 H3ClO5, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 5.49 | 0.0000 | -4.906 | 2.15 |
| Pna21 (No. 33) | orthorhombic | 5.48 | 0.0034 | -4.903 | 2.15 |
| Pnma (No. 62) | orthorhombic | 5.23 | 0.0441 | -4.862 | 1.75 |
| Pm (No. 6) | monoclinic | 4.89 | 0.0544 | -4.852 | 2.08 |
| Pnma (No. 62) | orthorhombic | 4.91 | 0.0574 | -4.849 | 2.14 |
| Pnma (No. 62) | orthorhombic | 4.92 | 0.0665 | -4.840 | 1.90 |
| Pnma (No. 62) | orthorhombic | 3.48 | 0.1027 | -4.804 | 1.43 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Frequently Asked Questions
Common questions about H3ClO5, answered from cross-validated data.
What is H3ClO5?
H3ClO5 is a thermodynamically stable, wide-gap insulating inorganic compound composed of hydrogen, chlorine, and oxygen.
What is the band gap of H3ClO5?
Is H3ClO5 a metal, semiconductor, or insulator?
Is H3ClO5 thermodynamically stable?
What is the crystal structure of H3ClO5?
What is the density of H3ClO5?
How many polymorphs of H3ClO5 are known?
What elements does H3ClO5 contain?
Where does the data for H3ClO5 come from?
How It Compares
As a unique entry in its chemical space, H3ClO5 stands as a stable reference point for understanding the bonding and structural arrangements possible for this specific combination of elements.
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).
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