TeHO2

TeHO2 is a semiconducting hydrogen tellurite compound that is theoretically stable and potentially synthesizable for material science applications.

HOTe
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for TeHO2, aggregated across 3 databases.

Band Gap

1.77 eV
Range across DFT structures

Energy Above Hull

0.022 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

6
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for TeHO2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pc (No. 7)monoclinic1.720.0216-5.5466.48
P21/c (No. 14)monoclinic1.770.0342-5.5336.96
P-1 (No. 2)Triclinic5.78
P-1 (No. 2)Triclinic5.98
P-1 (No. 2)Triclinic6.06
P4mm (No. 99)
Uses

Applications

Where TeHO2 is used.

Semiconductor researchMaterials science explorationElectronic component development
Reference

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.

More questions
What is TeHO2 used for?
TeHO2 is used in semiconductor research, materials science exploration, and electronic component development.
What is the band gap of TeHO2?
TeHO2 has a DFT-computed band gap of 1.77 eV across 6 reported structures.
Is TeHO2 a metal, semiconductor, or insulator?
With a band gap up to 1.77 eV it is a semiconductor.
Is TeHO2 thermodynamically stable?
TeHO2 has a lowest energy above hull of 0.022 eV/atom (near hull (likely stable)).
What is the crystal structure of TeHO2?
The lowest-energy reported polymorph of TeHO2 is monoclinic symmetry, space group Pc (No. 7).
What is the density of TeHO2?
The computed density of the ground-state structure of TeHO2 is 6.48 g/cm³.
How many polymorphs of TeHO2 are known?
6 structures of TeHO2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does TeHO2 contain?
TeHO2 contains H, O, and Te (3 elements).
Where does the data for TeHO2 come from?
TeHO2 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

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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