TeHO2
TeHO2 is a semiconducting hydrogen tellurite compound that is theoretically stable and potentially synthesizable for material science applications.
About TeHO2
TeHO2 is a semiconducting compound containing hydrogen, oxygen, and tellurium. Its electronic character suggests potential utility in specialized electronic or optoelectronic applications where semiconducting behavior is required for device performance. The material is identified as near-hull, indicating that it is thermodynamically stable enough to be considered a viable candidate for experimental synthesis. With multiple reported structural configurations, it represents an intriguing subject for further investigation into its phase stability and material properties.
Key Properties
Cross-validated computational properties for TeHO2, 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 TeHO2, 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. |
|---|---|---|---|---|---|
| Pc (No. 7) | monoclinic | 1.72 | 0.0216 | -5.546 | 6.48 |
| P21/c (No. 14) | monoclinic | 1.77 | 0.0342 | -5.533 | 6.96 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.78 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.98 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.06 |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where TeHO2 is used.
Frequently Asked Questions
Common questions about TeHO2, answered from cross-validated data.
What is TeHO2?
TeHO2 is a semiconducting hydrogen tellurite compound that is theoretically stable and potentially synthesizable for material science applications.
What is TeHO2 used for?
What is the band gap of TeHO2?
Is TeHO2 a metal, semiconductor, or insulator?
Is TeHO2 thermodynamically stable?
What is the crystal structure of TeHO2?
What is the density of TeHO2?
How many polymorphs of TeHO2 are known?
What elements does TeHO2 contain?
Where does the data for TeHO2 come from?
How It Compares
As a unique hydrogen tellurite, TeHO2 occupies a distinct position in materials science, serving as a foundational example of how hydrogen incorporation can influence the structural and electronic landscape of tellurium-based compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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