B8Be16H8O32
This complex inorganic compound is a beryllium borate hydrate structure. It is primarily studied in the context of solid-state chemistry and materials science research regarding mineral-like frameworks.
BBeHO
Overview
Key Properties
Cross-validated computational properties for B8Be16H8O32, 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.
6.15 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for B8Be16H8O32, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 6.15 | 0.0000 | -7.388 | 2.38 |
| Pbca (No. 61) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.29 |
| No. 0 | unknown | — | — | — | 0.29 |
| No. 0 | unknown | — | — | — | 0.30 |
| No. 0 | unknown | — | — | — | 0.29 |
| No. 0 | unknown | — | — | — | 0.29 |
Uses
Applications
Where B8Be16H8O32 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about B8Be16H8O32, answered from cross-validated data.
What is B8Be16H8O32?
This complex inorganic compound is a beryllium borate hydrate structure. It is primarily studied in the context of solid-state chemistry and materials science research regarding mineral-like frameworks.
More questions
What is B8Be16H8O32 used for?
B8Be16H8O32 is used in materials science research and solid-state chemistry studies.
What is the band gap of B8Be16H8O32?
B8Be16H8O32 has a DFT-computed band gap of 6.15 eV across 7 reported structures.
Is B8Be16H8O32 a metal, semiconductor, or insulator?
With a wide band gap up to 6.15 eV it is an insulator / wide-band-gap material.
Is B8Be16H8O32 thermodynamically stable?
Yes — B8Be16H8O32 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of B8Be16H8O32?
The lowest-energy reported polymorph of B8Be16H8O32 is orthorhombic symmetry, space group Pbca (No. 61).
What is the density of B8Be16H8O32?
The computed density of the ground-state structure of B8Be16H8O32 is 2.38 g/cm³.
How many polymorphs of B8Be16H8O32 are known?
7 structures of B8Be16H8O32 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B8Be16H8O32 contain?
B8Be16H8O32 contains B, Be, H, and O (4 elements).
Where does the data for B8Be16H8O32 come from?
B8Be16H8O32 data is cross-referenced from materials_project, aflow, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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