Ba4H32O20
Ba4H32O20 is a thermodynamically stable, insulating inorganic compound composed of barium, hydrogen, and oxygen.
About Ba4H32O20
Ba4H32O20 is a complex, thermodynamically stable compound characterized by its insulating, wide-band-gap electronic nature. Its unique stoichiometry involving barium, hydrogen, and oxygen suggests a highly specific structural arrangement that remains stable under standard conditions.
As a material that sits firmly on the convex hull, it represents a significant point of interest for structural chemistry and materials science. Its electronic properties make it a subject of study for applications requiring stable, non-conductive inorganic frameworks.
Key Properties
Cross-validated computational properties for Ba4H32O20, aggregated across 2 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 Ba4H32O20, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 5.11 | 0.0000 | -5.413 | 2.97 |
| C2/c (No. 15) | monoclinic | 3.90 | 0.0000 | -5.312 | 3.11 |
| Pc (No. 7) | monoclinic | 4.01 | 0.0006 | -5.311 | 2.96 |
| P2/c (No. 13) | monoclinic | 4.10 | 0.0008 | -5.311 | 2.99 |
| Cc (No. 9) | monoclinic | 3.97 | 0.0241 | -5.288 | 3.00 |
| Pc (No. 7) | monoclinic | 3.83 | 0.0257 | -5.286 | 2.94 |
| P1 (No. 1) | triclinic | 3.83 | 0.0280 | -5.284 | 2.99 |
| P1 (No. 1) | triclinic | 3.55 | 0.0384 | -5.274 | 2.91 |
| P1 (No. 1) | triclinic | 3.90 | 0.0398 | -5.272 | 2.87 |
| P1 (No. 1) | triclinic | 3.74 | 0.0523 | -5.260 | 2.92 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Ba4H32O20 is used.
Frequently Asked Questions
Common questions about Ba4H32O20, answered from cross-validated data.
What is Ba4H32O20?
Ba4H32O20 is a thermodynamically stable, insulating inorganic compound composed of barium, hydrogen, and oxygen.
What is Ba4H32O20 used for?
What is the band gap of Ba4H32O20?
Is Ba4H32O20 a metal, semiconductor, or insulator?
Is Ba4H32O20 thermodynamically stable?
What is the crystal structure of Ba4H32O20?
What is the density of Ba4H32O20?
How many polymorphs of Ba4H32O20 are known?
What elements does Ba4H32O20 contain?
Where does the data for Ba4H32O20 come from?
How It Compares
As a structurally distinct inorganic compound, Ba4H32O20 serves as a unique reference point within its chemical space. While it currently stands as a singular entry in this context, its thermodynamic stability and wide-gap insulating character distinguish it as a robust candidate for fundamental investigations into complex oxide-hydride systems.
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).
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