Be4Ge4Na8O16
This compound is a complex oxide containing beryllium, germanium, and sodium. It is primarily studied in the field of solid-state chemistry for its structural properties and potential as a precursor material in ceramic synthesis.
BeGeNaO
Overview
Key Properties
Cross-validated computational properties for Be4Ge4Na8O16, 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.
3.71 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.
0.002 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Be4Ge4Na8O16, 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 | 3.71 | 0.0024 | -6.228 | 3.35 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 3.35 |
Uses
Applications
Where Be4Ge4Na8O16 is used.
Materials science researchSolid-state chemistry studiesCeramic precursor development
Reference
Frequently Asked Questions
Common questions about Be4Ge4Na8O16, answered from cross-validated data.
What is Be4Ge4Na8O16?
This compound is a complex oxide containing beryllium, germanium, and sodium. It is primarily studied in the field of solid-state chemistry for its structural properties and potential as a precursor material in ceramic synthesis.
More questions
What is Be4Ge4Na8O16 used for?
Be4Ge4Na8O16 is used in materials science research, solid-state chemistry studies, and ceramic precursor development.
What is the band gap of Be4Ge4Na8O16?
Be4Ge4Na8O16 has a DFT-computed band gap of 3.71 eV across 3 reported structures.
Is Be4Ge4Na8O16 a metal, semiconductor, or insulator?
With a wide band gap up to 3.71 eV it is an insulator / wide-band-gap material.
Is Be4Ge4Na8O16 thermodynamically stable?
Be4Ge4Na8O16 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
What is the crystal structure of Be4Ge4Na8O16?
The lowest-energy reported polymorph of Be4Ge4Na8O16 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Be4Ge4Na8O16?
The computed density of the ground-state structure of Be4Ge4Na8O16 is 3.35 g/cm³.
How many polymorphs of Be4Ge4Na8O16 are known?
3 structures of Be4Ge4Na8O16 are reported across 3 databases, spanning 1 distinct space group.
What elements does Be4Ge4Na8O16 contain?
Be4Ge4Na8O16 contains Be, Ge, Na, and O (4 elements).
Where does the data for Be4Ge4Na8O16 come from?
Be4Ge4Na8O16 data is cross-referenced from materials_project, aflow, omat24.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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