B8Ge2K4O22
This compound is a complex borogermanate containing potassium. It is primarily studied in materials science research for its structural properties and potential utility in solid-state chemistry applications.
BGeKO
Overview
Key Properties
Cross-validated computational properties for B8Ge2K4O22, 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.
0.73 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.
0.246 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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for B8Ge2K4O22, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 0.73 | 0.2456 | -7.006 | 2.44 |
| — | — | — | — | — | 2.43 |
| No. 0 | unknown | — | — | — | 0.63 |
Uses
Applications
Where B8Ge2K4O22 is used.
Materials science researchSolid-state chemistry studiesCrystal structure analysis
Reference
Frequently Asked Questions
Common questions about B8Ge2K4O22, answered from cross-validated data.
What is B8Ge2K4O22?
This compound is a complex borogermanate containing potassium. It is primarily studied in materials science research for its structural properties and potential utility in solid-state chemistry applications.
More questions
What is B8Ge2K4O22 used for?
B8Ge2K4O22 is used in materials science research, solid-state chemistry studies, and crystal structure analysis.
What is the band gap of B8Ge2K4O22?
B8Ge2K4O22 has a DFT-computed band gap of 0.73 eV across 3 reported structures.
Is B8Ge2K4O22 a metal, semiconductor, or insulator?
With a band gap up to 0.73 eV it is a semiconductor.
Is B8Ge2K4O22 thermodynamically stable?
B8Ge2K4O22 has a lowest energy above hull of 0.246 eV/atom (above hull).
What is the crystal structure of B8Ge2K4O22?
The lowest-energy reported polymorph of B8Ge2K4O22 is monoclinic symmetry, space group Cc (No. 9).
What is the density of B8Ge2K4O22?
The computed density of the ground-state structure of B8Ge2K4O22 is 2.44 g/cm³.
How many polymorphs of B8Ge2K4O22 are known?
3 structures of B8Ge2K4O22 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B8Ge2K4O22 contain?
B8Ge2K4O22 contains B, Ge, K, and O (4 elements).
Where does the data for B8Ge2K4O22 come from?
B8Ge2K4O22 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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