TeHO

This compound is a tellurium-based hydroxide species that typically exists as an intermediate or transient chemical structure. It is primarily studied in the context of fundamental inorganic chemistry and atmospheric research involving tellurium cycles.

HOTe
Overview

Key Properties

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

Band Gap

1.57–3.07 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

12
3 databases, 8 space groups
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic3.070.0000-5.4008.64
P1 (No. 1)triclinic2.210.0499-5.3507.78
P1 (No. 1)triclinic1.970.0604-5.3407.93
Fmm2 (No. 42)orthorhombic1.910.0888-5.3118.11
I4/m (No. 87)tetragonal1.570.1906-5.2107.55
P-1 (No. 2)Triclinic5.04
P-1 (No. 2)Triclinic2.63
P-1 (No. 2)Triclinic3.70
Cm (No. 8)Monoclinic6.06
C2/m (No. 12)Monoclinic6.16
C2/m (No. 12)Monoclinic6.29
Pm (No. 6)
Uses

Applications

Where TeHO is used.

Fundamental chemical researchAtmospheric chemistry studies
Reference

Frequently Asked Questions

Common questions about TeHO, answered from cross-validated data.

What is TeHO?

This compound is a tellurium-based hydroxide species that typically exists as an intermediate or transient chemical structure. It is primarily studied in the context of fundamental inorganic chemistry and atmospheric research involving tellurium cycles.

More questions
What is TeHO used for?
TeHO is used in fundamental chemical research and atmospheric chemistry studies.
What is the band gap of TeHO?
TeHO has a DFT-computed band gap of 1.57–3.07 eV across 12 reported structures.
Is TeHO a metal, semiconductor, or insulator?
With a wide band gap up to 3.07 eV it is an insulator / wide-band-gap material.
Is TeHO thermodynamically stable?
Yes — TeHO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of TeHO?
The lowest-energy reported polymorph of TeHO is monoclinic symmetry, space group P21/c (No. 14).
What is the density of TeHO?
The computed density of the ground-state structure of TeHO is 8.64 g/cm³.
How many polymorphs of TeHO are known?
12 structures of TeHO are reported across 3 databases, spanning 8 distinct space groups.
What elements does TeHO contain?
TeHO contains H, O, and Te (3 elements).
Where does the data for TeHO come from?
TeHO data is cross-referenced from materials_project, mpaloe, jarvis.
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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