B12H4O26Sr6
This compound is a complex strontium borate hydrate. It is primarily studied for its structural properties in solid-state chemistry and as a precursor in the synthesis of specialized ceramic materials.
BHOSr
Overview
Key Properties
Cross-validated computational properties for B12H4O26Sr6, 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.
5.31 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.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for B12H4O26Sr6, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 5.31 | 0.0000 | -7.745 | 3.45 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.78 |
Uses
Applications
Where B12H4O26Sr6 is used.
Materials science researchCeramic precursor synthesisSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about B12H4O26Sr6, answered from cross-validated data.
What is B12H4O26Sr6?
This compound is a complex strontium borate hydrate. It is primarily studied for its structural properties in solid-state chemistry and as a precursor in the synthesis of specialized ceramic materials.
More questions
What is B12H4O26Sr6 used for?
B12H4O26Sr6 is used in materials science research, ceramic precursor synthesis, and solid-state chemistry studies.
What is the band gap of B12H4O26Sr6?
B12H4O26Sr6 has a DFT-computed band gap of 5.31 eV across 3 reported structures.
Is B12H4O26Sr6 a metal, semiconductor, or insulator?
With a wide band gap up to 5.31 eV it is an insulator / wide-band-gap material.
Is B12H4O26Sr6 thermodynamically stable?
Yes — B12H4O26Sr6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of B12H4O26Sr6?
The lowest-energy reported polymorph of B12H4O26Sr6 is triclinic symmetry, space group P-1 (No. 2).
What is the density of B12H4O26Sr6?
The computed density of the ground-state structure of B12H4O26Sr6 is 3.45 g/cm³.
How many polymorphs of B12H4O26Sr6 are known?
3 structures of B12H4O26Sr6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B12H4O26Sr6 contain?
B12H4O26Sr6 contains B, H, O, and Sr (4 elements).
Where does the data for B12H4O26Sr6 come from?
B12H4O26Sr6 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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