H12B12O28Zn4
H12B12O28Zn4 is a complex, wide-gap insulating zinc borate hydrate that is considered thermodynamically stable enough for potential synthesis.
About H12B12O28Zn4
H12B12O28Zn4 is a complex hydrated zinc borate characterized by its wide-gap insulating electronic structure. As a near-hull material, it sits in a favorable thermodynamic position, suggesting it is a viable candidate for experimental synthesis and structural characterization. Its unique arrangement of zinc, boron, and oxygen atoms provides a distinct framework for researchers investigating inorganic crystalline systems. The material is primarily of interest in fundamental solid-state chemistry due to its structural complexity and the interplay between its hydrated components and the zinc-borate backbone. It serves as a valuable subject for studies regarding the stability of metal-borate architectures under various synthetic conditions.
Key Properties
Cross-validated computational properties for H12B12O28Zn4, 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 H12B12O28Zn4, 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 | 4.68 | 0.0082 | -6.928 | 2.73 |
| No. 0 | unknown | — | — | — | 0.72 |
| — | — | — | — | — | 2.77 |
Applications
Where H12B12O28Zn4 is used.
Frequently Asked Questions
Common questions about H12B12O28Zn4, answered from cross-validated data.
What is H12B12O28Zn4?
H12B12O28Zn4 is a complex, wide-gap insulating zinc borate hydrate that is considered thermodynamically stable enough for potential synthesis.
What is H12B12O28Zn4 used for?
What is the band gap of H12B12O28Zn4?
Is H12B12O28Zn4 a metal, semiconductor, or insulator?
Is H12B12O28Zn4 thermodynamically stable?
What is the crystal structure of H12B12O28Zn4?
What is the density of H12B12O28Zn4?
How many polymorphs of H12B12O28Zn4 are known?
What elements does H12B12O28Zn4 contain?
Where does the data for H12B12O28Zn4 come from?
How It Compares
As a specialized zinc borate, H12B12O28Zn4 represents a unique structural configuration within the broader family of metal borates. Unlike simpler, more common borate minerals, this compound offers a complex stoichiometric arrangement that highlights the versatility of boron-oxygen polyhedra when coordinated with zinc centers.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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