B40K8O64
This compound is a complex potassium borate material characterized by its intricate structural framework. It is primarily utilized in specialized materials research and as a precursor in the synthesis of advanced glass and ceramic components.
BKO
Overview
Key Properties
Cross-validated computational properties for B40K8O64, 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.
4.14–6.01 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.
6
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for B40K8O64, 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 | 5.49 | 0.0000 | -8.136 | 1.82 |
| Pbca (No. 61) | orthorhombic | 6.01 | 0.0136 | -8.123 | 2.21 |
| Pbca (No. 61) | orthorhombic | 4.32 | 0.2922 | -7.844 | 1.67 |
| Pbca (No. 61) | orthorhombic | 4.14 | 0.3131 | -7.823 | 1.67 |
| — | — | — | — | — | 1.61 |
| Pbca (No. 61) | orthorhombic | — | — | — | 2.30 |
Uses
Applications
Where B40K8O64 is used.
Materials science researchGlass manufacturingCeramic synthesis
Reference
Frequently Asked Questions
Common questions about B40K8O64, answered from cross-validated data.
What is B40K8O64?
This compound is a complex potassium borate material characterized by its intricate structural framework. It is primarily utilized in specialized materials research and as a precursor in the synthesis of advanced glass and ceramic components.
What is B40K8O64 used for?
B40K8O64 is used in materials science research, glass manufacturing, and ceramic synthesis.
What is the band gap of B40K8O64?
B40K8O64 has a DFT-computed band gap of 4.14–6.01 eV across 6 reported structures.
Is B40K8O64 a metal, semiconductor, or insulator?
With a wide band gap up to 6.01 eV it is an insulator / wide-band-gap material.
Is B40K8O64 thermodynamically stable?
Yes — B40K8O64 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of B40K8O64?
The lowest-energy reported polymorph of B40K8O64 is orthorhombic symmetry, space group Pbca (No. 61).
What is the density of B40K8O64?
The computed density of the ground-state structure of B40K8O64 is 1.82 g/cm³.
How many polymorphs of B40K8O64 are known?
6 structures of B40K8O64 are reported across 3 databases, spanning 1 distinct space group.
What elements does B40K8O64 contain?
B40K8O64 contains B, K, and O (3 elements).
Where does the data for B40K8O64 come from?
B40K8O64 data is cross-referenced from materials_project, omat24, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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