B8Na4O20Sc4
This compound is a complex borate material containing sodium and scandium. It is primarily utilized in materials science research for investigating the structural properties of rare-earth borate frameworks.
BNaOSc
Overview
Key Properties
Cross-validated computational properties for B8Na4O20Sc4, 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.
4.92 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 B8Na4O20Sc4, 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 | 4.92 | 0.0000 | -8.180 | 2.75 |
| No. 0 | unknown | — | — | — | 0.71 |
| P21/c (No. 14) | — | — | — | — | — |
Uses
Applications
Where B8Na4O20Sc4 is used.
Materials science researchSolid-state chemistry studiesCrystal structure analysis
Reference
Frequently Asked Questions
Common questions about B8Na4O20Sc4, answered from cross-validated data.
What is B8Na4O20Sc4?
This compound is a complex borate material containing sodium and scandium. It is primarily utilized in materials science research for investigating the structural properties of rare-earth borate frameworks.
More questions
What is B8Na4O20Sc4 used for?
B8Na4O20Sc4 is used in materials science research, solid-state chemistry studies, and crystal structure analysis.
What is the band gap of B8Na4O20Sc4?
B8Na4O20Sc4 has a DFT-computed band gap of 4.92 eV across 3 reported structures.
Is B8Na4O20Sc4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.92 eV it is an insulator / wide-band-gap material.
Is B8Na4O20Sc4 thermodynamically stable?
Yes — B8Na4O20Sc4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of B8Na4O20Sc4?
The lowest-energy reported polymorph of B8Na4O20Sc4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of B8Na4O20Sc4?
The computed density of the ground-state structure of B8Na4O20Sc4 is 2.75 g/cm³.
How many polymorphs of B8Na4O20Sc4 are known?
3 structures of B8Na4O20Sc4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B8Na4O20Sc4 contain?
B8Na4O20Sc4 contains B, Na, O, and Sc (4 elements).
Where does the data for B8Na4O20Sc4 come from?
B8Na4O20Sc4 data is cross-referenced from materials_project, cod, aflow.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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