TbH2ClO2
TbH2ClO2 is a stable, wide-band-gap insulating compound containing terbium, chlorine, hydrogen, and oxygen.
About TbH2ClO2
TbH2ClO2 is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration that maintains integrity under standard conditions. Its composition involving terbium, chlorine, hydrogen, and oxygen suggests a specialized role in materials science where insulating properties are required.
This compound is of interest for researchers investigating rare-earth-based chemical systems. Its stability profile indicates a favorable energy state, making it a reliable subject for structural analysis and potential integration into functional material frameworks that demand high dielectric performance or specific chemical inertness.
Key Properties
Cross-validated computational properties for TbH2ClO2, 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 TbH2ClO2, 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 | 4.80 | 0.0000 | -6.286 | 5.22 |
| No. 0 | unknown | — | — | — | 2.66 |
| P21/m (No. 11) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Frequently Asked Questions
Common questions about TbH2ClO2, answered from cross-validated data.
What is TbH2ClO2?
TbH2ClO2 is a stable, wide-band-gap insulating compound containing terbium, chlorine, hydrogen, and oxygen.
What is the band gap of TbH2ClO2?
Is TbH2ClO2 a metal, semiconductor, or insulator?
Is TbH2ClO2 thermodynamically stable?
What is the crystal structure of TbH2ClO2?
What is the density of TbH2ClO2?
How many polymorphs of TbH2ClO2 are known?
What elements does TbH2ClO2 contain?
Where does the data for TbH2ClO2 come from?
How It Compares
As a unique inorganic phase, TbH2ClO2 occupies a distinct position in materials research. While it does not currently share a well-defined class with other compounds in this database, its status as a stable, wide-gap insulator provides a benchmark for evaluating the properties of other rare-earth oxyhalide-hydride 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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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