H2O4Tb2
H2O4Tb2 is a stable, wide-band-gap insulating compound composed of hydrogen, oxygen, and terbium.
About H2O4Tb2
H2O4Tb2 is a robust, thermodynamically stable compound characterized by its insulating electronic nature. As a wide-band-gap material, it exhibits significant structural stability, evidenced by its presence on the convex hull and its multiple documented structural configurations across various databases. Its unique composition of hydrogen, oxygen, and terbium makes it a subject of interest for fundamental research into rare-earth-based inorganic systems. The material is primarily studied for its potential utility in specialized electronic or optical applications where high stability and insulating behavior are required. Its structural diversity suggests a complex chemistry that warrants further investigation into its phase behavior and potential for functional integration in next-generation devices.
Key Properties
Cross-validated computational properties for H2O4Tb2, 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 H2O4Tb2, 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/m (No. 11) | monoclinic | 3.95 | 0.0000 | -7.476 | 7.14 |
| Pmmn (No. 59) | orthorhombic | 4.77 | 0.0830 | -7.393 | 6.91 |
| — | — | — | — | — | 6.79 |
| — | — | — | — | — | 6.79 |
| — | — | — | — | — | 6.63 |
| — | — | — | — | — | 6.63 |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where H2O4Tb2 is used.
Frequently Asked Questions
Common questions about H2O4Tb2, answered from cross-validated data.
What is H2O4Tb2?
H2O4Tb2 is a stable, wide-band-gap insulating compound composed of hydrogen, oxygen, and terbium.
What is H2O4Tb2 used for?
What is the band gap of H2O4Tb2?
Is H2O4Tb2 a metal, semiconductor, or insulator?
Is H2O4Tb2 thermodynamically stable?
What is the crystal structure of H2O4Tb2?
What is the density of H2O4Tb2?
How many polymorphs of H2O4Tb2 are known?
What elements does H2O4Tb2 contain?
Where does the data for H2O4Tb2 come from?
How It Compares
As a distinct inorganic compound, H2O4Tb2 occupies a unique position in the landscape of rare-earth hydrogen-oxygen systems. While it represents a stable phase within its chemical space, its properties are defined by the specific coordination of terbium and oxygen, which distinguishes it from more common binary oxides or simple hydroxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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