Ba1Be1O4Si1
Ba1Be1O4Si1 is a thermodynamically stable, insulating inorganic compound containing barium, beryllium, oxygen, and silicon.
About Ba1Be1O4Si1
Ba1Be1O4Si1 is a complex inorganic compound composed of barium, beryllium, oxygen, and silicon. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material exhibits insulating electronic characteristics, typical of wide-band-gap oxides. Its unique combination of alkaline earth metals and silicate-like structural motifs makes it a subject of interest for fundamental solid-state research and specialized material development.
Key Properties
Cross-validated computational properties for Ba1Be1O4Si1, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Ba1Be1O4Si1, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 4.61 | 0.0000 | -7.735 | 3.98 |
| No. 0 | unknown | — | — | — | 1.48 |
| Cm (No. 8) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.99 |
| No. 0 | unknown | — | — | — | 0.74 |
| No. 0 | unknown | — | — | — | 1.48 |
Applications
Where Ba1Be1O4Si1 is used.
Frequently Asked Questions
Common questions about Ba1Be1O4Si1, answered from cross-validated data.
What is Ba1Be1O4Si1?
Ba1Be1O4Si1 is a thermodynamically stable, insulating inorganic compound containing barium, beryllium, oxygen, and silicon.
What is Ba1Be1O4Si1 used for?
What is the band gap of Ba1Be1O4Si1?
Is Ba1Be1O4Si1 a metal, semiconductor, or insulator?
Is Ba1Be1O4Si1 thermodynamically stable?
What is the crystal structure of Ba1Be1O4Si1?
What is the density of Ba1Be1O4Si1?
How many polymorphs of Ba1Be1O4Si1 are known?
What elements does Ba1Be1O4Si1 contain?
Where does the data for Ba1Be1O4Si1 come from?
How It Compares
As a unique inorganic compound, Ba1Be1O4Si1 serves as a distinct representative of its chemical family. While it currently stands as a singular entry in this classification, its thermodynamic stability and electronic profile distinguish it as a reliable candidate for further investigation into complex oxide systems.
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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