B8Be4Ca4O20
This complex borate mineral is a rare crystalline compound containing beryllium, calcium, and boron. It is primarily of interest in geological studies and mineralogical research due to its unique structural composition.
BBeCaO
Overview
Key Properties
Cross-validated computational properties for B8Be4Ca4O20, 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.
5.69 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.
0.004 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.
Near hull (likely 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 B8Be4Ca4O20, 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 | 5.69 | 0.0043 | -7.990 | 2.95 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.76 |
Uses
Applications
Where B8Be4Ca4O20 is used.
Geological researchMineralogical specimen collectionCrystallographic studies
Reference
Frequently Asked Questions
Common questions about B8Be4Ca4O20, answered from cross-validated data.
What is B8Be4Ca4O20?
This complex borate mineral is a rare crystalline compound containing beryllium, calcium, and boron. It is primarily of interest in geological studies and mineralogical research due to its unique structural composition.
More questions
What is B8Be4Ca4O20 used for?
B8Be4Ca4O20 is used in geological research, mineralogical specimen collection, and crystallographic studies.
What is the band gap of B8Be4Ca4O20?
B8Be4Ca4O20 has a DFT-computed band gap of 5.69 eV across 3 reported structures.
Is B8Be4Ca4O20 a metal, semiconductor, or insulator?
With a wide band gap up to 5.69 eV it is an insulator / wide-band-gap material.
Is B8Be4Ca4O20 thermodynamically stable?
B8Be4Ca4O20 has a lowest energy above hull of 0.004 eV/atom (near hull (likely stable)).
What is the crystal structure of B8Be4Ca4O20?
The lowest-energy reported polymorph of B8Be4Ca4O20 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of B8Be4Ca4O20?
The computed density of the ground-state structure of B8Be4Ca4O20 is 2.95 g/cm³.
How many polymorphs of B8Be4Ca4O20 are known?
3 structures of B8Be4Ca4O20 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B8Be4Ca4O20 contain?
B8Be4Ca4O20 contains B, Be, Ca, and O (4 elements).
Where does the data for B8Be4Ca4O20 come from?
B8Be4Ca4O20 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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