BaTeO3
Barium tellurite
Barium tellurite is an inorganic compound composed of barium, tellurium, and oxygen. It is primarily utilized in specialized glass manufacturing and as a precursor in the synthesis of advanced ceramic materials.
BaOTe
Overview
Key Properties
Cross-validated computational properties for Barium tellurite, aggregated across 4 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.
1.76–3.26 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
4 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for BaTeO3, 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 | 2.71 | 0.0000 | -6.338 | 5.49 |
| Cmcm (No. 63) | orthorhombic | 1.76 | 0.0005 | -6.208 | 7.06 |
| Pnma (No. 62) | orthorhombic | 3.26 | 0.0093 | -6.329 | 5.50 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.29 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.66 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.41 |
| No. 0 | unknown | — | — | — | 0.63 |
| P21/m (No. 11) | — | — | — | — | — |
Uses
Applications
Where Barium tellurite is used.
Glass manufacturingCeramic material synthesisOptical materials research
Reference
Frequently Asked Questions
Common questions about Barium tellurite, answered from cross-validated data.
What is BaTeO3?
Barium tellurite is an inorganic compound composed of barium, tellurium, and oxygen. It is primarily utilized in specialized glass manufacturing and as a precursor in the synthesis of advanced ceramic materials.
More questions
What is BaTeO3 used for?
Barium tellurite (BaTeO3) is used in glass manufacturing, ceramic material synthesis, and optical materials research.
What is the band gap of BaTeO3?
Barium tellurite (BaTeO3) has a DFT-computed band gap of 1.76–3.26 eV across 8 reported structures.
Is BaTeO3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.26 eV it is an insulator / wide-band-gap material.
Is BaTeO3 thermodynamically stable?
Yes — Barium tellurite (BaTeO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of BaTeO3?
The lowest-energy reported polymorph of Barium tellurite (BaTeO3) is monoclinic symmetry, space group P21/m (No. 11).
What is the density of BaTeO3?
The computed density of the ground-state structure of Barium tellurite (BaTeO3) is 5.49 g/cm³.
How many polymorphs of BaTeO3 are known?
8 structures of BaTeO3 are reported across 4 databases, spanning 4 distinct space groups.
What elements does BaTeO3 contain?
Barium tellurite (BaTeO3) contains Ba, O, and Te (3 elements).
Where does the data for BaTeO3 come from?
BaTeO3 data is cross-referenced from materials_project, mpaloe, cod, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- 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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